ChemSpider 2D Image | Decyl methacrylate | C14H26O2

Decyl methacrylate

  • Molecular FormulaC14H26O2
  • Average mass226.355 Da
  • Monoisotopic mass226.193283 Da
  • ChemSpider ID17482

More details:

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

221-657-1 [EINECS]
2-Propenoic acid, 2-methyl-, decyl ester [ACD/Index Name]
3179-47-3 [RN]
decyl 2-methyl-2-propenoate
decyl 2-methylacrylate
decyl 2-methylprop-2-enoate
Decyl methacrylate [ACD/IUPAC Name]
Decylmethacrylat [German] [ACD/IUPAC Name]
Méthacrylate de décyle [French] [ACD/IUPAC Name]
2-Methyl-2-propenoic acid decyl ester
More...

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

6FH245R509 [DBID]
17886_FLUKA [DBID]
408948_ALDRICH [DBID]
AI3-08770 [DBID]
CCRIS 4775 [DBID]
NCGC00091105-01 [DBID]
NSC 20975 [DBID]
NSC20975 [DBID]
UNII:6FH245R509 [DBID]
UNII-6FH245R509 [DBID]
  • Gas Chromatography

    • Retention Index (Kovats):

      1547 (estimated with error: 47) NIST Spectra mainlib_341320, replib_76071
      1556 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.28 mm; Column length: 19 m; Column type: Capillary; Start T: 170 C; CAS no: 3179473; Active phase: OV-101; Carrier gas: N2; Data type: Kovats RI; Authors: Horna, A.; Taborsky, J.; Dufka, O.; Matousek, P.; Churacek, J., Chromatography of monomers. II. Glass capillary gas chromatography of C1-C18 alkyl esters of acrylic and methacrylic acids, J. Chromatogr., 325, 1985, 367-378.) NIST Spectra nist ri
      1557 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.28 mm; Column length: 19 m; Column type: Capillary; Start T: 200 C; CAS no: 3179473; Active phase: OV-101; Carrier gas: N2; Data type: Kovats RI; Authors: Horna, A.; Taborsky, J.; Dufka, O.; Matousek, P.; Churacek, J., Chromatography of monomers. II. Glass capillary gas chromatography of C1-C18 alkyl esters of acrylic and methacrylic acids, J. Chromatogr., 325, 1985, 367-378.) NIST Spectra nist ri
      1833 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column diameter: 0.23 mm; Column length: 46 m; Column type: Capillary; Start T: 170 C; CAS no: 3179473; Active phase: SP-1000; Carrier gas: N2; Data type: Kovats RI; Authors: Horna, A.; Taborsky, J.; Dufka, O.; Matousek, P.; Churacek, J., Chromatography of monomers. II. Glass capillary gas chromatography of C1-C18 alkyl esters of acrylic and methacrylic acids, J. Chromatogr., 325, 1985, 367-378.) NIST Spectra nist ri
      1841 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column diameter: 0.23 mm; Column length: 46 m; Column type: Capillary; Start T: 200 C; CAS no: 3179473; Active phase: SP-1000; Carrier gas: N2; Data type: Kovats RI; Authors: Horna, A.; Taborsky, J.; Dufka, O.; Matousek, P.; Churacek, J., Chromatography of monomers. II. Glass capillary gas chromatography of C1-C18 alkyl esters of acrylic and methacrylic acids, J. Chromatogr., 325, 1985, 367-378.) NIST Spectra nist ri

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

Density: 0.9±0.1 g/cm3
Boiling Point: 288.6±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.8±3.0 kJ/mol
Flash Point: 114.7±7.0 °C
Index of Refraction: 1.442
Molar Refractivity: 68.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 5.85
ACD/BCF (pH 5.5): 16323.54
ACD/KOC (pH 5.5): 36067.82
ACD/LogD (pH 7.4): 5.85
ACD/BCF (pH 7.4): 16323.54
ACD/KOC (pH 7.4): 36067.82
Polar Surface Area: 26 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 29.1±3.0 dyne/cm
Molar Volume: 258.0±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) =  5.70

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  275.60  (Adapted Stein & Brown method)
    Melting Pt (deg C):  24.13  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00679  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.4359
       log Kow used: 5.70 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.7254 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.86E-003  atm-m3/mole
   Group Method:   6.29E-003  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  4.639E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.70  (KowWin est)
  Log Kaw used:  -1.119  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.819
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9224
   Biowin2 (Non-Linear Model)     :   0.9967
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1375  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0192  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8404
   Biowin6 (MITI Non-Linear Model):   0.9167
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6179
 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):  0.941 Pa (0.00706 mm Hg)
  Log Koa (Koawin est  ): 6.819
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.19E-006 
       Octanol/air (Koa) model:  1.62E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000115 
       Mackay model           :  0.000255 
       Octanol/air (Koa) model:  0.000129 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  31.1716 E-12 cm3/molecule-sec
      Half-Life =     0.343 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.118 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec
      Half-Life =     1.007 Days (at 7E11 mol/cm3)
      Half-Life =     24.179 Hrs
   Fraction sorbed to airborne particulates (phi): 0.000185 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2504
      Log Koc:  3.399 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  1.215E-003  L/mol-sec
  Kb Half-Life at pH 8:      18.080  years  
  Kb Half-Life at pH 7:     180.797  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 2.685 (BCF = 484.3)
       log Kow used: 5.70 (estimated)

 Volatilization from Water:
    Henry LC:  0.00629 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.675  hours
    Half-Life from Model Lake :      144.4  hours   (6.018 days)

 Removal In Wastewater Treatment:
    Total removal:              92.05  percent
    Total biodegradation:        0.65  percent
    Total sludge adsorption:    83.78  percent
    Total to Air:                7.62  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.535           6.14         1000       
   Water     8.61            360          1000       
   Soil      51.6            720          1000       
   Sediment  39.3            3.24e+003    0          
     Persistence Time: 668 hr

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