ChemSpider 2D Image | Tetrapropylgermane | C12H28Ge

Tetrapropylgermane

  • Molecular FormulaC12H28Ge
  • Average mass244.991 Da
  • Monoisotopic mass246.140274 Da
  • ChemSpider ID13224

More details:

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

Germane, tetrapropyl- [ACD/Index Name]
TETRA-n-PROPYLGERMANE
Tetrapropylgerman [German] [ACD/IUPAC Name]
Tetrapropylgermane [ACD/IUPAC Name]
Tétrapropylgermane [French] [ACD/IUPAC Name]
4-04-00-04285 [Beilstein]
MFCD00015195
tetra-n-Propylgermanium
Tetrapropylgerman
tetrapropylgermanium
More...

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

447560_ALDRICH [DBID]
BRN 3660530 [DBID]
NSC 65799 [DBID]
NSC65799 [DBID]
  • Experimental Physico-chemical Properties
  • Gas Chromatography

    • Retention Index (Normal Alkane):

      1239.4 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 2 m; Column type: Packed; CAS no: 994650; Active phase: E-301; Substrate: Silocel C.22 (60-65 mesh); Data type: Normal alkane RI; Authors: Pollard, F.H.; Nickless, G.; Uden, P.C., Chromatographic studies on group IVB elements. Part I. Redistribution reactions of the tetraalkyls, J. Chromatogr., 19, 1965, 28-56.) NIST Spectra nist ri

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

Density:
Boiling Point: 247.7±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.5±3.0 kJ/mol
Flash Point: 98.1±16.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.57
ACD/LogD (pH 5.5): 6.22
ACD/BCF (pH 5.5): 31325.72
ACD/KOC (pH 5.5): 57510.93
ACD/LogD (pH 7.4): 6.22
ACD/BCF (pH 7.4): 31325.72
ACD/KOC (pH 7.4): 57510.93
Polar Surface Area: 0 Å2
Polarizability:
Surface Tension:
Molar Volume:

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  7.24

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  269.46  (Adapted Stein & Brown method)
    Melting Pt (deg C):  31.39  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0145  (Modified Grain method)
    BP  (exp database):  86-87 @ 5 mm Hg deg C
    Subcooled liquid VP: 0.0165 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):  0.01665
       log Kow used: 7.24 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.1405 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   Incomplete
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.807E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Can Not Estimate (can not calculate HenryLC)

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6309
   Biowin2 (Non-Linear Model)     :   0.3847
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6578  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4943  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3803
   Biowin6 (MITI Non-Linear Model):   0.2626
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7257
 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):  2.2 Pa (0.0165 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.36E-006 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.93E-005 
       Mackay model           :  0.000109 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  51.2172 E-12 cm3/molecule-sec
      Half-Life =     0.209 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.506 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 7.92E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  8766
      Log Koc:  3.943 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 2.985 (BCF = 966.7)
       log Kow used: 7.24 (estimated)

 Volatilization from Water:
    Henry LC:  0.281 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:        1.6  hours
    Half-Life from Model Lake :      148.7  hours   (6.196 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              95.32  percent
    Total biodegradation:        0.64  percent
    Total sludge adsorption:    85.47  percent
    Total to Air:                9.22  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0802          5.01         1000       
   Water     2.04            900          1000       
   Soil      28.8            1.8e+003     1000       
   Sediment  69              8.1e+003     0          
     Persistence Time: 2.95e+003 hr

Click to predict properties on the Chemicalize site


Advertisement