ChemSpider 2D Image | Glycidyl laurate | C15H28O3

Glycidyl laurate

  • Molecular FormulaC15H28O3
  • Average mass256.381 Da
  • Monoisotopic mass256.203857 Da
  • ChemSpider ID85028

More details:

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

1984-77-6 [RN]
2-Oxiranylmethyl laurate [ACD/IUPAC Name]
2-Oxiranylmethyllaurat [German] [ACD/IUPAC Name]
Dodecanoic acid, oxiranylmethyl ester [ACD/Index Name]
Dodecanoic acid, oxiranylmethyl ester (9CI)
Dodecanoic acid,2-oxiranylmethyl ester
Glycidyl laurate
Laurate de 2-oxiranylméthyle [French] [ACD/IUPAC Name]
Oxiran-2-ylmethyl laurate
1161719-52-3 [RN]
More...

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

BRN 0161351 [DBID]
NSC 406541 [DBID]
NSC406541 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 335.4±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.8±3.0 kJ/mol
Flash Point: 132.2±5.3 °C
Index of Refraction: 1.458
Molar Refractivity: 72.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5503.71
ACD/KOC (pH 5.5): 16563.57
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5503.71
ACD/KOC (pH 7.4): 16563.57
Polar Surface Area: 39 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 266.9±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) =  4.82

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  317.02  (Adapted Stein & Brown method)
    Melting Pt (deg C):  71.97  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000283  (Modified Grain method)
    Subcooled liquid VP: 0.000787 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.655
       log Kow used: 4.82 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.634 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Epoxides
       Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.46E-006  atm-m3/mole
   Group Method:   1.44E-006  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  5.769E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.82  (KowWin est)
  Log Kaw used:  -3.578  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.398
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5607
   Biowin2 (Non-Linear Model)     :   0.8655
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0625  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9661  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8707
   Biowin6 (MITI Non-Linear Model):   0.9100
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5587
 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):  0.105 Pa (0.000787 mm Hg)
  Log Koa (Koawin est  ): 8.398
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.86E-005 
       Octanol/air (Koa) model:  6.14E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00103 
       Mackay model           :  0.00228 
       Octanol/air (Koa) model:  0.00489 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  15.3130 E-12 cm3/molecule-sec
      Half-Life =     0.698 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.382 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.00166 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  553.4
      Log Koc:  2.743 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  6.204E-002  L/mol-sec
  Kb Half-Life at pH 8:     129.295  days   
  Kb Half-Life at pH 7:       3.540  years  

  Total Ka (acid-catalyzed) at 25 deg C :  2.214E-004  L/mol-sec
  Ka Half-Life at pH 7:     992.160  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 2.014 (BCF = 103.4)
       log Kow used: 4.82 (estimated)

 Volatilization from Water:
    Henry LC:  6.46E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      146.8  hours   (6.115 days)
    Half-Life from Model Lake :       1735  hours   (72.3 days)

 Removal In Wastewater Treatment:
    Total removal:              71.24  percent
    Total biodegradation:        0.63  percent
    Total sludge adsorption:    70.52  percent
    Total to Air:                0.09  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.19            16.8         1000       
   Water     19.5            360          1000       
   Soil      64.1            720          1000       
   Sediment  15.1            3.24e+003    0          
     Persistence Time: 544 hr

Click to predict properties on the Chemicalize site


Advertisement