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Search term: 27214-38-6 (Found by approved synonym)
ChemSpider 2D Image | Monomyristin | C17H34O4

Monomyristin

  • Molecular FormulaC17H34O4
  • Average mass302.449 Da
  • Monoisotopic mass302.245697 Da
  • ChemSpider ID71382

More details:

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

1-monomyristin
1-monomyristoylglycerol
1-Monomyristoyl-rac-glycerol
1-Monotetradecanoyl-rac-glycerol
1-Myristoyl-rac-glycerol
2,3-Dihydroxypropyl myristate [ACD/IUPAC Name]
2,3-Dihydroxypropyl tetradecanoate
2,3-Dihydroxypropylmyristat [German] [ACD/IUPAC Name]
27214-38-6 [RN]
589-68-4 [RN]
More...

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

1727502 [DBID]
SMJ2192F1R [DBID]
UNII:SMJ2192F1R [DBID]
70058_FLUKA [DBID]
AI3-03491 [DBID]
M1890_SIGMA [DBID]
NSC404225 [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: 424.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±6.0 kJ/mol
Flash Point: 141.3±16.7 °C
Index of Refraction: 1.468
Molar Refractivity: 85.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 7037.28
ACD/KOC (pH 5.5): 19749.85
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 7037.27
ACD/KOC (pH 7.4): 19749.82
Polar Surface Area: 67 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 308.0±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) =  4.65

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  401.94  (Adapted Stein & Brown method)
    Melting Pt (deg C):  139.10  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.81E-009  (Modified Grain method)
    Subcooled liquid VP: 6.8E-008 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):  1.265
       log Kow used: 4.65 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  13.805 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.24E-008  atm-m3/mole
   Group Method:   3.08E-012  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.513E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.65  (KowWin est)
  Log Kaw used:  -6.295  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.945
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.2036
   Biowin2 (Non-Linear Model)     :   0.9990
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2893  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1683  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.1199
   Biowin6 (MITI Non-Linear Model):   0.9849
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.0742
 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):  9.07E-006 Pa (6.8E-008 mm Hg)
  Log Koa (Koawin est  ): 10.945
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.331 
       Octanol/air (Koa) model:  0.0216 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.923 
       Mackay model           :  0.964 
       Octanol/air (Koa) model:  0.634 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  32.2143 E-12 cm3/molecule-sec
      Half-Life =     0.332 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.984 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.943 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  50.17
      Log Koc:  1.700 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  2.848E-002  L/mol-sec
  Kb Half-Life at pH 8:     281.632  days   
  Kb Half-Life at pH 7:       7.711  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 1.882 (BCF = 76.19)
       log Kow used: 4.65 (estimated)

 Volatilization from Water:
    Henry LC:  1.24E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 8.212E+004  hours   (3422 days)
    Half-Life from Model Lake :  8.96E+005  hours   (3.733E+004 days)

 Removal In Wastewater Treatment:
    Total removal:              63.62  percent
    Total biodegradation:        0.58  percent
    Total sludge adsorption:    63.05  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.671           7.97         1000       
   Water     21.4            208          1000       
   Soil      70.7            416          1000       
   Sediment  7.13            1.87e+003    0          
     Persistence Time: 359 hr

Click to predict properties on the Chemicalize site


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