ChemSpider 2D Image | diisopropyl bicarbamate | C8H16N2O4

diisopropyl bicarbamate

  • Molecular FormulaC8H16N2O4
  • Average mass204.224 Da
  • Monoisotopic mass204.111008 Da
  • ChemSpider ID79587

More details:

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

1,2-Hydrazinedicarboxylate de diisopropyle [French] [ACD/IUPAC Name]
1,2-Hydrazinedicarboxylic acid, bis(1-methylethyl) ester [ACD/Index Name]
19740-72-8 [RN]
243-263-9 [EINECS]
Diisopropyl 1,2-hydrazinedicarboxylate [ACD/IUPAC Name]
diisopropyl bicarbamate
Diisopropyl hydrazine-1,2-dicarboxylate
Diisopropyl hydrazodicarboxylate
Diisopropyl-1,2-hydrazindicarboxylat [German] [ACD/IUPAC Name]
1,2-Hydrazinedicarboxylic acid, 1,2-bis(1-methylethyl) ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

U7924912PH [DBID]
NSC 29147 [DBID]
NSC29147 [DBID]
UNII:U7924912PH [DBID]
UNII-U7924912PH [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 271.5±9.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.0±3.0 kJ/mol
    Flash Point: 118.0±18.7 °C
    Index of Refraction: 1.448
    Molar Refractivity: 49.8±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.37
    ACD/LogD (pH 5.5): 0.90
    ACD/BCF (pH 5.5): 2.84
    ACD/KOC (pH 5.5): 73.53
    ACD/LogD (pH 7.4): 0.89
    ACD/BCF (pH 7.4): 2.77
    ACD/KOC (pH 7.4): 71.65
    Polar Surface Area: 77 Å2
    Polarizability: 19.7±0.5 10-24cm3
    Surface Tension: 34.5±3.0 dyne/cm
    Molar Volume: 185.9±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) =  1.54

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  235.98  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -19.57  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0572  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2022
       log Kow used: 1.54 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.1225e+005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   9.33E-009  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  7.602E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.54  (KowWin est)
  Log Kaw used:  -6.419  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.959
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6503
   Biowin2 (Non-Linear Model)     :   0.5271
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7479  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5531  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.3681
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1861
 Ready Biodegradability Prediction:   NO

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

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  7.25 Pa (0.0544 mm Hg)
  Log Koa (Koawin est  ): 7.959
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.14E-007 
       Octanol/air (Koa) model:  2.23E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.49E-005 
       Mackay model           :  3.31E-005 
       Octanol/air (Koa) model:  0.00178 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  24.6931 E-12 cm3/molecule-sec
      Half-Life =     0.433 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.198 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.4E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  96.36
      Log Koc:  1.984 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  3.722E-001  L/mol-sec
  Kb Half-Life at pH 8:      21.555  days   
  Kb Half-Life at pH 7:     215.552  days   

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.484 (BCF = 3.051)
       log Kow used: 1.54 (estimated)

 Volatilization from Water:
    Henry LC:  9.33E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 8.968E+004  hours   (3737 days)
    Half-Life from Model Lake : 9.785E+005  hours   (4.077E+004 days)

 Removal In Wastewater Treatment:
    Total removal:               1.99  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.89  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       0.0914          10.4         1000       
   Water     33.3            900          1000       
   Soil      66.6            1.8e+003     1000       
   Sediment  0.086           8.1e+003     0          
     Persistence Time: 1.09e+003 hr

    Click to predict properties on the Chemicalize site


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