ChemSpider 2D Image | lauryl methacrylate | C16H30O2

lauryl methacrylate

  • Molecular FormulaC16H30O2
  • Average mass254.408 Da
  • Monoisotopic mass254.224579 Da
  • ChemSpider ID8566

More details:






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

lauryl methacrylate
142-90-5 [RN]
1708160
1-Dodecyl methacrylate
205-570-6 [EINECS]
2-methyl-2-propenoic acid dodecyl ester
2-methylacrylic acid lauryl ester
2-methylprop-2-enoic acid dodecyl ester
2-Propenoic acid, 2-methyl-, dodecyl ester [ACD/Index Name]
B6L83074BZ
More...

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

182192_ALDRICH [DBID]
291811_ALDRICH [DBID]
AI3-08765 [DBID]
BRN 1708160 [DBID]
Caswell No. 521 [DBID]
EPA Pesticide Chemical Code 053101 [DBID]
GE 410 [DBID]
HSDB 5417 [DBID]
NSC 5188 [DBID]
NSC5188 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      liquid OU Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable, but prone to polymerization.May be stabilized with hydroquinone. Combustible. Incompatible withstrong oxidizing agents. OU Chemical Safety Data (No longer updated) More details
    • Toxicity:

      IPR-MUS LD50 25000 mg kg-1 OU Chemical Safety Data (No longer updated) More details
    • Safety:

      IRRITANT Matrix Scientific 099043
      Safety glasses. Adequate ventilation. OU Chemical Safety Data (No longer updated) More details
  • Gas Chromatography
    • Retention Index (Kovats):

      1746 (estimated with error: 47) NIST Spectra mainlib_133410, replib_221503, replib_229165, replib_340288
      1756 (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: 142905; 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
      2042 (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: 142905; 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
    • Retention Index (Linear):

      1775 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.19 mm; Column length: 30 m; Column type: Capillary; Description: 20C=> 5C/min =>120C=>10C/min =>280C; CAS no: 142905; Active phase: 5 % Phenyl methyl siloxane; Data type: Linear RI; Authors: Zaikin, V.G., Personal Communication: Retention indices measured during the period 2006 to 2007 (I), 2007.) NIST Spectra nist ri

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

Density: 0.9±0.1 g/cm3
Boiling Point: 322.7±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.5±3.0 kJ/mol
Flash Point: 133.8±7.6 °C
Index of Refraction: 1.445
Molar Refractivity: 77.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 7.19
ACD/LogD (pH 5.5): 6.57
ACD/BCF (pH 5.5): 58119.75
ACD/KOC (pH 5.5): 89512.62
ACD/LogD (pH 7.4): 6.57
ACD/BCF (pH 7.4): 58119.75
ACD/KOC (pH 7.4): 89512.62
Polar Surface Area: 26 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 29.6±3.0 dyne/cm
Molar Volume: 291.0±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) =  6.68

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  306.03  (Adapted Stein & Brown method)
    Melting Pt (deg C):  33.90  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00142  (Modified Grain method)
    MP  (exp database):  -7 deg C
    BP  (exp database):  142 @ 4 mm Hg deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.04437
       log Kow used: 6.68 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.068751 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.27E-003  atm-m3/mole
   Group Method:   1.25E-002  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.071E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.68  (KowWin est)
  Log Kaw used:  -0.874  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.554
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9090
   Biowin2 (Non-Linear Model)     :   0.9951
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0755  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9787  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8558
   Biowin6 (MITI Non-Linear Model):   0.9204
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6699
 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):  0.189 Pa (0.00142 mm Hg)
  Log Koa (Koawin est  ): 7.554
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.58E-005 
       Octanol/air (Koa) model:  8.79E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000572 
       Mackay model           :  0.00127 
       Octanol/air (Koa) model:  0.000703 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  33.9977 E-12 cm3/molecule-sec
      Half-Life =     0.315 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.775 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): 0.000919 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  8516
      Log Koc:  3.930 

 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 = 2.941 (BCF = 873.9)
       log Kow used: 6.68 (estimated)

 Volatilization from Water:
    Henry LC:  0.0125 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.702  hours
    Half-Life from Model Lake :      152.3  hours   (6.347 days)

 Removal In Wastewater Treatment:
    Total removal:              93.93  percent
    Total biodegradation:        0.75  percent
    Total sludge adsorption:    91.32  percent
    Total to Air:                1.86  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.257           5.75         1000       
   Water     4.56            360          1000       
   Soil      32              720          1000       
   Sediment  63.2            3.24e+003    0          
     Persistence Time: 1.08e+003 hr




                    

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