ChemSpider 2D Image | Oleic alcohol | C18H36O

Oleic alcohol

  • Molecular FormulaC18H36O
  • Average mass268.478 Da
  • Monoisotopic mass268.276611 Da
  • ChemSpider ID4447562
  • Double-bond stereo - Double-bond stereo


More details:



Featured data source



Validated by Experts, Validated by Users, Non-Validated, Removed by Users

cis-Octadecen-1-ol
(9Z)-9-Octadecen-1-ol [ACD/IUPAC Name]
(9Z)-9-Octadecen-1-ol [German] [ACD/IUPAC Name]
(9Z)-9-Octadécén-1-ol [French] [ACD/IUPAC Name]
(9Z)-Octadec-9-en-1-ol
9-Octadecen-1-ol, (9Z)- [ACD/Index Name]
9-Octadecen-1-ol, cis-
Oleic alcohol
Oleyl Alcohol
( Z)-9-octadecenol
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

369314_ALDRICH [DBID]
Adol 320 [DBID]
Adol 330 [DBID]
Adol 34 [DBID]
Adol 340 [DBID]
Adol 80 [DBID]
Adol 85 [DBID]
Adol 90 [DBID]
AI3-07620 [DBID]
HSDB 6484 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
  • Gas Chromatography
    • Retention Index (Kovats):

      2061 (estimated with error: 41) NIST Spectra mainlib_352682, replib_12978, replib_229534
    • Retention Index (Normal Alkane):

      2066 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 10 K/min; Start T: 100 C; End T: 250 C; Start time: 1 min; CAS no: 143282; Active phase: EC-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Reboucas, L.M.; Sant-Ana, A.E.G.; Griepink, F.C., Kovats retention indexes of mono- and di-unsaturated C18 alcohols, acetates and aldehydes found in Lepidopteran pheromone blends, in XVI International Plant Protection Congress. Congress Proceedings. Vol.2, Scottish Exhibition and Conference Centre, Glagow, Scotland, UK, 15-18 October, 2007, 2007, 590-591.) NIST Spectra nist ri
      2116 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 10 K/min; Start T: 100 C; End T: 250 C; Start time: 1 min; CAS no: 143282; Active phase: AT-Wax; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Reboucas, L.M.; Sant-Ana, A.E.G.; Griepink, F.C., Kovats retention indexes of mono- and di-unsaturated C18 alcohols, acetates and aldehydes found in Lepidopteran pheromone blends, in XVI International Plant Protection Congress. Congress Proceedings. Vol.2, Scottish Exhibition and Conference Centre, Glagow, Scotland, UK, 15-18 October, 2007, 2007, 590-591.) NIST Spectra nist ri
    • Retention Index (Linear):

      2068.8 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: Multi-step temperature program; T(initial)=60C; T(final)=270C; CAS no: 143282; Active phase: VF-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., 2008.) NIST Spectra nist ri

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

Density: 0.8±0.1 g/cm3
Boiling Point: 333.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.7±6.0 kJ/mol
Flash Point: 120.7±15.6 °C
Index of Refraction: 1.462
Molar Refractivity: 87.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 7.80
ACD/LogD (pH 5.5): 7.47
ACD/BCF (pH 5.5): 282195.81
ACD/KOC (pH 5.5): 277382.16
ACD/LogD (pH 7.4): 7.47
ACD/BCF (pH 7.4): 282195.81
ACD/KOC (pH 7.4): 277382.16
Polar Surface Area: 20 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 31.8±3.0 dyne/cm
Molar Volume: 316.8±3.0 cm3

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

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  7.50

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  358.24  (Adapted Stein & Brown method)
    Melting Pt (deg C):  85.36  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.49E-005  (Modified Grain method)
    MP  (exp database):  6.5 deg C
    BP  (exp database):  334 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.02367
       log Kow used: 7.50 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.014915 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.64E-004  atm-m3/mole
   Group Method:   3.22E-004  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.224E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.50  (KowWin est)
  Log Kaw used:  -1.722  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.222
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8869
   Biowin2 (Non-Linear Model)     :   0.8964
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0642  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8589  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8286
   Biowin6 (MITI Non-Linear Model):   0.9087
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8143
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.00199 Pa (1.49E-005 mm Hg)
  Log Koa (Koawin est  ): 9.222
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00151 
       Octanol/air (Koa) model:  0.000409 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0517 
       Mackay model           :  0.108 
       Octanol/air (Koa) model:  0.0317 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  79.7181 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  87.3181 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.610 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.470 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    20.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi): 0.0798 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.288E+004
      Log Koc:  4.110 

 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 = 2.623 (BCF = 419.8)
       log Kow used: 7.50 (estimated)

 Volatilization from Water:
    Henry LC:  0.000464 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       3.74  hours
    Half-Life from Model Lake :      178.2  hours   (7.425 days)

 Removal In Wastewater Treatment:
    Total removal:              93.98  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.19  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0501          1.28         1000       
   Water     3.88            360          1000       
   Soil      28.5            720          1000       
   Sediment  67.5            3.24e+003    0          
     Persistence Time: 1.21e+003 hr




                    

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