ChemSpider 2D Image | p-Menth-8-ene, cis- | C10H18

p-Menth-8-ene, cis-

  • Molecular FormulaC10H18
  • Average mass138.250 Da
  • Monoisotopic mass138.140854 Da
  • ChemSpider ID19954099

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

cis-1-Isopropenyl-4-methylcyclohexan [German] [ACD/IUPAC Name]
cis-1-Isopropenyl-4-methylcyclohexane [ACD/IUPAC Name]
cis-1-Isopropényl-4-méthylcyclohexane [French] [ACD/IUPAC Name]
cis-1-methyl-4-(prop-1-en-2-yl)cyclohexane
Cyclohexane, 1-methyl-4-(1-methylethenyl)-, cis- [ACD/Index Name]
p-Menth-8-ene, cis-
1-methyl-4-(prop-1-en-2-yl)cyclohexane
8-cis-Menthene
cis-4-menth-8-ene

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

  • Gas Chromatography

    • Retention Index (Kovats):

      993.4 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.25 mm; Column length: 64 m; Column type: Capillary; Start T: 80 C; CAS no: 1879078; Active phase: SE-30; Carrier gas: He; Data type: Kovats RI; Authors: Albaiges, J.; Guardino, X., Gas chromatographic-mass spectrometric identification of alkylcyclohexanes and cyclohexenes, Chromatographia, 13(12), 1980, 755-762.) NIST Spectra nist ri
      995.4 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 100 m; Column type: Capillary; Start T: 80 C; CAS no: 1879078; Active phase: Squalane; Carrier gas: He; Data type: Kovats RI; Authors: Albaiges, J.; Guardino, X., Gas chromatographic-mass spectrometric identification of alkylcyclohexanes and cyclohexenes, Chromatographia, 13(12), 1980, 755-762.) NIST Spectra nist ri

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

Density: 0.8±0.1 g/cm3
Boiling Point: 170.0±7.0 °C at 760 mmHg
Vapour Pressure: 2.0±0.1 mmHg at 25°C
Enthalpy of Vaporization: 39.0±0.8 kJ/mol
Flash Point: 43.7±13.0 °C
Index of Refraction: 1.445
Molar Refractivity: 45.8±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1966.64
ACD/KOC (pH 5.5): 7929.48
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1966.64
ACD/KOC (pH 7.4): 7929.48
Polar Surface Area: 0 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 24.4±3.0 dyne/cm
Molar Volume: 172.0±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) =  4.91

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  160.45  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -51.63  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.22  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.576
       log Kow used: 4.91 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4.6887 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.66E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.717E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.91  (KowWin est)
  Log Kaw used:  1.175  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.735
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6817
   Biowin2 (Non-Linear Model)     :   0.7399
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8936  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6483  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4178
   Biowin6 (MITI Non-Linear Model):   0.3357
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1287
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.6922
     BioHC Half-Life (days)     :   4.9231

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  393 Pa (2.95 mm Hg)
  Log Koa (Koawin est  ): 3.735
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.63E-009 
       Octanol/air (Koa) model:  1.33E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.75E-007 
       Mackay model           :  6.1E-007 
       Octanol/air (Koa) model:  1.07E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  63.2255 E-12 cm3/molecule-sec
      Half-Life =     0.169 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.030 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi): 4.43E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1324
      Log Koc:  3.122 

 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 = 3.083 (BCF = 1210)
       log Kow used: 4.91 (estimated)

 Volatilization from Water:
    Henry LC:  0.366 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.202  hours
    Half-Life from Model Lake :      111.7  hours   (4.654 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.52  percent
    Total biodegradation:        0.15  percent
    Total sludge adsorption:    46.27  percent
    Total to Air:               53.10  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.38            3.45         1000       
   Water     25.3            360          1000       
   Soil      49.5            720          1000       
   Sediment  23.8            3.24e+003    0          
     Persistence Time: 239 hr

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