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3-decyne c10h18 structure

Subject: Others
Info
  • Published: December 12, 2021
  • Updated: July 8, 2022
  • Language: English
  • Downloads: 26
Table of Contents
  1. Experimental Boiling Point:
  2. Experimental Flash Point:
  3. Experimental Gravity:
  4. Experimental Refraction Index:
  5. Safety:
  6. Retention Index (Kovats):

Contents

  • Retention Index (Kovats):
Molecular Formula C 10 H 18
Average mass 138. 250 Da
Density 0. 8±0. 1 g/cm 3
Boiling Point 179. 2±3. 0 °C at 760 mmHg
Flash Point 52. 2±11. 2 °C
Molar Refractivity 46. 4±0. 3 cm 3
Polarizability 18. 4±0. 5 10 -24 cm 3
Surface Tension 28. 3±3. 0 dyne/cm
Molar Volume 176. 9±3. 0 cm 3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – EPISuite
  • Predicted – ChemAxon
  • Experimental Physico-chemical Properties

    • Experimental Boiling Point:

      175-176 °CAlfa Aesar
      175-176 °CAlfa AesarB20268

    • Experimental Flash Point:

      56 °CAlfa Aesar
      56 °CAlfa Aesar
      56 °F (13. 3333 °C)Alfa AesarB20268

    • Experimental Gravity:

      0. 767 g/mLAlfa AesarB20268

    • Experimental Refraction Index:

      1. 435Alfa AesarB20268
  • Miscellaneous

    • Safety:

      3Alfa AesarB20268
      DANGER: FLAMMABLE, irritates skin and eyesAlfa AesarB20268
      H226Alfa AesarB20268
      P210-P280-P240-P303+P361+P353-P403+P235-P501aAlfa AesarB20268
      WarningAlfa AesarB20268
  • Gas Chromatography

    • Retention Index (Kovats):

      1033 (estimated with error: 39)NIST Spectramainlib_142633, replib_114174, replib_3520
      1039 (Program type: Isothermal; Col… (show more)umn class: Standard non-polar; Column diameter: 0. 25 mm; Column length: 50 m; Column type: Capillary; Start T: 110 C; CAS no: 2384852; Active phase: OV-101; Carrier gas: He; Data type: Kovats RI; Authors: Kuningas, K.; Rang, S.; Kailas, T., Relationship between the structure and retention of n-alkenes and n-alkynes on silicone phases, J. Chromatogr., 520, 1990, 137-148.)NIST Spectranist ri
      1014 (Program type: Isothermal; Col… (show more)umn class: Semi-standard non-polar; Column diameter: 0. 25 mm; Column length: 100 m; Column type: Capillary; Start T: 100 C; CAS no: 2384852; Active phase: Squalane; Carrier gas: N2; Data type: Kovats RI; Authors: Rang, S.; Kuningas, K.; Orav, A.; Eisen, O., Capillary gas chromatography of n-alkynes. I. Retention indices, J. Chromatogr., 119, 1976, 451-460., Program type: Isothermal; Col… (show more)umn class: Semi-standard non-polar; Column diameter: 0. 25 mm; Column length: 100 m; Column type: Capillary; Start T: 90 C; CAS no: 2384852; Active phase: Squalane; Carrier gas: N2; Data type: Kovats RI; Authors: Rang, S.; Kuningas, K.; Orav, A.; Eisen, O., Capillary gas chromatography of n-alkynes. I. Retention indices, J. Chromatogr., 119, 1976, 451-460., Program type: Isothermal; Col… (show more)umn class: Semi-standard non-polar; Column diameter: 0. 25 mm; Column length: 107 m; Column type: Capillary; Start T: 80 C; CAS no: 2384852; Active phase: Squalane; Carrier gas: H2; Phase thickness: 0. 40 um; Data type: Kovats RI; Authors: Sojak, L.; Farkas, P.; Ostrovsky, I.; Janak, J.; Chretien, J. R., Capillary gas chromatography of C5 – C13 branched alkynes on squalane and liquid crystal stationary phases, J. Chromatogr., 557, 1991, 241-253.)NIST Spectranist ri
      1012 (Program type: Isothermal; Col… (show more)umn class: Semi-standard non-polar; Column diameter: 0. 25 mm; Column length: 100 m; Column type: Capillary; Start T: 130 C; CAS no: 2384852; Active phase: Squalane; Carrier gas: N2; Data type: Kovats RI; Authors: Rang, S.; Kuningas, K.; Orav, A.; Eisen, O., Capillary gas chromatography of n-alkynes. I. Retention indices, J. Chromatogr., 119, 1976, 451-460.)NIST Spectranist ri
      1013 (Program type: Isothermal; Col… (show more)umn class: Semi-standard non-polar; Column diameter: 0. 25 mm; Column length: 100 m; Column type: Capillary; Start T: 110 C; CAS no: 2384852; Active phase: Squalane; Carrier gas: N2; Data type: Kovats RI; Authors: Rang, S.; Kuningas, K.; Orav, A.; Eisen, O., Capillary gas chromatography of n-alkynes. I. Retention indices, J. Chromatogr., 119, 1976, 451-460., Program type: Isothermal; Col… (show more)umn class: Semi-standard non-polar; Column diameter: 0. 25 mm; Column length: 100 m; Column type: Capillary; Start T: 120 C; CAS no: 2384852; Active phase: Squalane; Carrier gas: N2; Data type: Kovats RI; Authors: Rang, S.; Kuningas, K.; Orav, A.; Eisen, O., Capillary gas chromatography of n-alkynes. I. Retention indices, J. Chromatogr., 119, 1976, 451-460.)NIST Spectranist ri
      1017 (Program type: Isothermal; Col… (show more)umn class: Semi-standard non-polar; Column diameter: 0. 25 mm; Column length: 50 m; Column type: Capillary; Start T: 150 C; CAS no: 2384852; Active phase: Apiezon L; Carrier gas: N2; Data type: Kovats RI; Authors: Rang, S.; Kuningas, K.; Orav, A.; Eisen, O., Capillary gas chromatography of n-alkynes. I. Retention indices, J. Chromatogr., 119, 1976, 451-460.)NIST Spectranist ri
      1019 (Program type: Isothermal; Col… (show more)umn class: Semi-standard non-polar; Column diameter: 0. 25 mm; Column length: 50 m; Column type: Capillary; Start T: 130 C; CAS no: 2384852; Active phase: Apiezon L; Carrier gas: N2; Data type: Kovats RI; Authors: Rang, S.; Kuningas, K.; Orav, A.; Eisen, O., Capillary gas chromatography of n-alkynes. I. Retention indices, J. Chromatogr., 119, 1976, 451-460.)NIST Spectranist ri
      1020 (Program type: Isothermal; Col… (show more)umn class: Semi-standard non-polar; Column diameter: 0. 25 mm; Column length: 50 m; Column type: Capillary; Start T: 110 C; CAS no: 2384852; Active phase: Apiezon L; Carrier gas: N2; Data type: Kovats RI; Authors: Rang, S.; Kuningas, K.; Orav, A.; Eisen, O., Capillary gas chromatography of n-alkynes. I. Retention indices, J. Chromatogr., 119, 1976, 451-460.)NIST Spectranist ri
      1190. 3 (Program type: Isothermal; Col… (show more)umn class: Standard polar; Column diameter: 0. 2 mm; Column length: 50 m; Column type: Capillary; Start T: 80 C; CAS no: 2384852; Active phase: PEG-20M; Carrier gas: He; Phase thickness: 0. 13 um; Data type: Kovats RI; Authors: Orav, A.; Kuningas, K.; Kailas, T.; Koplimets, E.; Rang, S., Effect of adsorption on the retention values in capillary columns coated with OV-225 and PEG 20M, J. Chromatogr. A, 659, 1994, 143-150.)NIST Spectranist ri
      1196. 2 (Program type: Isothermal; Col… (show more)umn class: Standard polar; Column diameter: 0. 2 mm; Column length: 50 m; Column type: Capillary; Start T: 80 C; CAS no: 2384852; Active phase: PEG-20M; Carrier gas: He; Phase thickness: 0. 19 um; Data type: Kovats RI; Authors: Orav, A.; Kuningas, K.; Kailas, T.; Koplimets, E.; Rang, S., Effect of adsorption on the retention values in capillary columns coated with OV-225 and PEG 20M, J. Chromatogr. A, 659, 1994, 143-150.)NIST Spectranist ri
      1199. 2 (Program type: Isothermal; Col… (show more)umn class: Standard polar; Column diameter: 0. 2 mm; Column length: 50 m; Column type: Capillary; Start T: 80 C; CAS no: 2384852; Active phase: PEG-20M; Carrier gas: He; Phase thickness: 0. 22 um; Data type: Kovats RI; Authors: Orav, A.; Kuningas, K.; Kailas, T.; Koplimets, E.; Rang, S., Effect of adsorption on the retention values in capillary columns coated with OV-225 and PEG 20M, J. Chromatogr. A, 659, 1994, 143-150.)NIST Spectranist ri
      1207 (Program type: Isothermal; Col… (show more)umn class: Standard polar; Column type: Capillary; Start T: 100 C; CAS no: 2384852; Active phase: PEG 4000; Data type: Kovats RI; Authors: Rang, S. A.; Orav, A. E.; Kuningas, K. R.; Meister, A. E.; Strense, T. V.; Eisen, O. G., Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208., Program type: Isothermal; Col… (show more)umn class: Standard polar; Column type: Capillary; Start T: 110 C; CAS no: 2384852; Active phase: PEG 4000; Data type: Kovats RI; Authors: Rang, S. A.; Orav, A. E.; Kuningas, K. R.; Meister, A. E.; Strense, T. V.; Eisen, O. G., Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208., Program type: Isothermal; Col… (show more)umn class: Standard polar; Column type: Capillary; Start T: 120 C; CAS no: 2384852; Active phase: PEG 4000; Data type: Kovats RI; Authors: Rang, S. A.; Orav, A. E.; Kuningas, K. R.; Meister, A. E.; Strense, T. V.; Eisen, O. G., Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208., Program type: Isothermal; Col… (show more)umn class: Standard polar; Column type: Capillary; Start T: 140 C; CAS no: 2384852; Active phase: PEG 4000; Data type: Kovats RI; Authors: Rang, S. A.; Orav, A. E.; Kuningas, K. R.; Meister, A. E.; Strense, T. V.; Eisen, O. G., Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208.)NIST Spectranist ri
      1208 (Program type: Isothermal; Col… (show more)umn class: Standard polar; Column type: Capillary; Start T: 80 C; CAS no: 2384852; Active phase: PEG 4000; Data type: Kovats RI; Authors: Rang, S. A.; Orav, A. E.; Kuningas, K. R.; Meister, A. E.; Strense, T. V.; Eisen, O. G., Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208.)NIST Spectranist ri
      1185. 3 (Program type: Isothermal; Col… (show more)umn class: Standard polar; Column diameter: 0. 25 mm; Column length: 100 m; Column type: Capillary; Start T: 61 C; CAS no: 2384852; Active phase: PEG-20M; Data type: Kovats RI; Authors: Orav, A.; Kuningas, K.; Rang, S.; Eisen, O., Capillary gas chromatography of n-tridecenes, n-tetradecenes and C10-C14 n-alkynes on polyethylene glycol 20m of different polarity, Eesti NSV Tead. Akad. Toim. Keem., 34(2), 1985, 105-113.)NIST Spectranist ri
      1187. 5 (Program type: Isothermal; Col… (show more)umn class: Standard polar; Column diameter: 0. 25 mm; Column length: 100 m; Column type: Capillary; Start T: 70 C; CAS no: 2384852; Active phase: PEG-20M; Data type: Kovats RI; Authors: Orav, A.; Kuningas, K.; Rang, S.; Eisen, O., Capillary gas chromatography of n-tridecenes, n-tetradecenes and C10-C14 n-alkynes on polyethylene glycol 20m of different polarity, Eesti NSV Tead. Akad. Toim. Keem., 34(2), 1985, 105-113.)NIST Spectranist ri
      1197. 5 (Program type: Isothermal; Col… (show more)umn class: Standard polar; Column diameter: 0. 25 mm; Column length: 100 m; Column type: Capillary; Start T: 61 C; CAS no: 2384852; Active phase: PEG-20M; Data type: Kovats RI; Authors: Orav, A.; Kuningas, K.; Rang, S.; Eisen, O., Capillary gas chromatography of n-tridecenes, n-tetradecenes and C10-C14 n-alkynes on polyethylene glycol 20m of different polarity, Eesti NSV Tead. Akad. Toim. Keem., 34(2), 1985, 105-113.)NIST Spectranist ri
      1202. 7 (Program type: Isothermal; Col… (show more)umn class: Standard polar; Column diameter: 0. 25 mm; Column length: 100 m; Column type: Capillary; Start T: 70 C; CAS no: 2384852; Active phase: PEG-20M; Data type: Kovats RI; Authors: Orav, A.; Kuningas, K.; Rang, S.; Eisen, O., Capillary gas chromatography of n-tridecenes, n-tetradecenes and C10-C14 n-alkynes on polyethylene glycol 20m of different polarity, Eesti NSV Tead. Akad. Toim. Keem., 34(2), 1985, 105-113.)NIST Spectranist ri
      1203. 1 (Program type: Isothermal; Col… (show more)umn class: Standard polar; Column diameter: 0. 25 mm; Column length: 100 m; Column type: Capillary; Start T: 80 C; CAS no: 2384852; Active phase: PEG-20M; Data type: Kovats RI; Authors: Orav, A.; Kuningas, K.; Rang, S.; Eisen, O., Capillary gas chromatography of n-tridecenes, n-tetradecenes and C10-C14 n-alkynes on polyethylene glycol 20m of different polarity, Eesti NSV Tead. Akad. Toim. Keem., 34(2), 1985, 105-113.)NIST Spectranist ri

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

Density: 0. 8±0. 1 g/cm 3
Boiling Point: 179. 2±3. 0 °C at 760 mmHg
Vapour Pressure: 1. 3±0. 2 mmHg at 25°C
Enthalpy of Vaporization: 39. 8±0. 8 kJ/mol
Flash Point: 52. 2±11. 2 °C
Index of Refraction: 1. 437
Molar Refractivity: 46. 4±0. 3 cm 3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4. 65
ACD/LogD (pH 5. 5): 4. 45
ACD/BCF (pH 5. 5): 1407. 19
ACD/KOC (pH 5. 5): 6240. 06
ACD/LogD (pH 7. 4): 4. 45
ACD/BCF (pH 7. 4): 1407. 19
ACD/KOC (pH 7. 4): 6240. 06
Polar Surface Area: 0 Å 2
Polarizability: 18. 4±0. 5 10 -24 cm 3
Surface Tension: 28. 3±3. 0 dyne/cm
Molar Volume: 176. 9±3. 0 cm 3

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

 Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1. 67 estimate) = 4. 54Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1. 42): Boiling Pt (deg C): 179. 90 (Adapted Stein & Brown method)Melting Pt (deg C): 13. 39 (Mean or Weighted MP)VP(mm Hg, 25 deg C): 1. 52 (Mean VP of Antoine & Grain methods)BP (exp database): 177 deg CWater Solubility Estimate from Log Kow (WSKOW v1. 41): Water Solubility at 25 deg C (mg/L): 3. 301log Kow used: 4. 54 (estimated)no-melting pt equation usedWater Sol Estimate from Fragments: Wat Sol (v1. 01 est) = 9. 1072 mg/LECOSAR Class Program (ECOSAR v0. 99h): Class(es) found: Neutral OrganicsHenrys Law Constant (25 deg C) [HENRYWIN v3. 10]: Bond Method : 5. 89E-002 atm-m3/moleGroup Method: 7. 73E-002 atm-m3/moleHenrys LC [VP/WSol estimate using EPI values]: 8. 377E-002 atm-m3/moleLog Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1. 10]: Log Kow used: 4. 54 (KowWin est)Log Kaw used: 0. 382 (HenryWin est)Log Koa (KOAWIN v1. 10 estimate): 4. 158Log Koa (experimental database): NoneProbability of Rapid Biodegradation (BIOWIN v4. 10): Biowin1 (Linear Model) : 0. 7902Biowin2 (Non-Linear Model) : 0. 9473Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3. 1920 (weeks )Biowin4 (Primary Survey Model) : 3. 9173 (days )MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0. 5982Biowin6 (MITI Non-Linear Model): 0. 7596Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0. 5152Ready Biodegradability Prediction: YESHydrocarbon Biodegradation (BioHCwin v1. 01): LOG BioHC Half-Life (days) : 0. 6944BioHC Half-Life (days) : 4. 9477Sorption to aerosols (25 Dec C)[AEROWIN v1. 00]: Vapor pressure (liquid/subcooled): 185 Pa (1. 39 mm Hg)Log Koa (Koawin est ): 4. 158Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1. 62E-008 Octanol/air (Koa) model: 3. 53E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5. 85E-007 Mackay model : 1. 29E-006 Octanol/air (Koa) model: 2. 83E-007 Atmospheric Oxidation (25 deg C) [AopWin v1. 92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 34. 8053 E-12 cm3/molecule-secHalf-Life = 0. 307 Days (12-hr day; 1. 5E6 OH/cm3)Half-Life = 3. 688 HrsOzone Reaction: OVERALL Ozone Rate Constant = 0. 003000 E-17 cm3/molecule-secHalf-Life = 382. 000 Days (at 7E11 mol/cm3)Fraction sorbed to airborne particulates (phi): 9. 4E-007 (Junge, Mackay)Note: the sorbed fraction may be resistant to atmospheric oxidationSoil Adsorption Coefficient (PCKOCWIN v1. 66): Koc : 1724Log Koc: 3. 236 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1. 67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2. 17): Log BCF from regression-based method = 2. 793 (BCF = 621. 6)log Kow used: 4. 54 (estimated)Volatilization from Water: Henry LC: 0. 0773 atm-m3/mole (estimated by Group SAR Method)Half-Life from Model River: 1. 209 hoursHalf-Life from Model Lake : 111. 8 hours (4. 658 days)Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 97. 67 percentTotal biodegradation: 0. 13 percentTotal sludge adsorption: 35. 99 percentTotal to Air: 61. 54 percent(using 10000 hr Bio P, A, S)Level III Fugacity Model: Mass Amount Half-Life Emissions(percent) (hr) (kg/hr)Air 2. 3 7. 37 1000 Water 22. 6 360 1000 Soil 65. 6 720 1000 Sediment 9. 46 3. 24e+003 0 Persistence Time: 270 hr

Click to predict properties on the Chemicalize site

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