ChemSpider 2D Image | Camphene | C10H16

Camphene

  • Molecular FormulaC10H16
  • Average mass136.234 Da
  • Monoisotopic mass136.125198 Da
  • ChemSpider ID6364

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

2,2-Dimethyl-3-methylenbicyclo[2.2.1]heptan [German] [ACD/IUPAC Name]
2,2-Dimethyl-3-methylenebicyclo(2.2.1)heptane
2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane [ACD/IUPAC Name]
2,2-Diméthyl-3-méthylènebicyclo[2.2.1]heptane [French] [ACD/IUPAC Name]
Bicyclo(2.2.1)heptane, 2,2-dimethyl-3-methylene-
Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene- [ACD/Index Name]
camphen
Camphene [Wiki]
dl-Camphene
(-)-(1S,4R)-camphene
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AI3-01775 [DBID]
CCRIS 3783 [DBID]
FEMA No. 2229 [DBID]
HSDB 900 [DBID]
NSC 4165 [DBID]
NSC4165 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 158.6±7.0 °C at 760 mmHg
Vapour Pressure: 3.4±0.1 mmHg at 25°C
Enthalpy of Vaporization: 37.9±0.8 kJ/mol
Flash Point: 36.7±0.0 °C
Index of Refraction: 1.484
Molar Refractivity: 43.8±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 579.91
ACD/KOC (pH 5.5): 3308.37
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 579.91
ACD/KOC (pH 7.4): 3308.37
Polar Surface Area: 0 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 27.1±5.0 dyne/cm
Molar Volume: 153.1±5.0 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) =  4.35
    Log Kow (Exper. database match) =  4.22
       Exper. Ref:  Griffin,S et al. (1999)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  150.80  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -15.30  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.78  (Modified Grain method)
    MP  (exp database):  52 deg C
    BP  (exp database):  159 deg C
    VP  (exp database):  2.51E+00 mm Hg at 25 deg C
    Subcooled liquid VP: 4.64 mm Hg (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6.275
       log Kow used: 4.22 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  4.6 mg/L (25 deg C)
        Exper. Ref:  CHEM INSPECT TEST INST (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.6192 mg/L
    Wat Sol (Exper. database match) =  4.60
       Exper. Ref:  CHEM INSPECT TEST INST (1992)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.61E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.085E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.22  (exp database)
  Log Kaw used:  0.818  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.402
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4988
   Biowin2 (Non-Linear Model)     :   0.3432
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6860  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4977  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4717
   Biowin6 (MITI Non-Linear Model):   0.3865
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0855
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.8597
     BioHC Half-Life (days)     :  72.3873

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  619 Pa (4.64 mm Hg)
  Log Koa (Koawin est  ): 3.402
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.85E-009 
       Octanol/air (Koa) model:  6.19E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.75E-007 
       Mackay model           :  3.88E-007 
       Octanol/air (Koa) model:  4.96E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  56.8029 E-12 cm3/molecule-sec
      Half-Life =     0.188 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.260 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): 2.82E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1204
      Log Koc:  3.081 

 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 = 2.549 (BCF = 354.3)
       log Kow used: 4.22 (expkow database)

 Volatilization from Water:
    Henry LC:  0.161 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.195  hours
    Half-Life from Model Lake :      110.9  hours   (4.621 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.72  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:    24.24  percent
    Total to Air:               74.39  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.79            4.74         1000       
   Water     40.9            900          1000       
   Soil      40.1            1.8e+003     1000       
   Sediment  16.1            8.1e+003     0          
     Persistence Time: 190 hr




                    

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