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Search term: C20H30 (Found by synonym)

ChemSpider 2D Image | 1,4-Dicyclohexyl-2,5-dimethylbenzene | C20H30

1,4-Dicyclohexyl-2,5-dimethylbenzene

  • Molecular FormulaC20H30
  • Average mass270.452 Da
  • Monoisotopic mass270.234741 Da
  • ChemSpider ID541270

More details:






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

1,4-Dicyclohexyl-2,5-dimethylbenzene [ACD/IUPAC Name]
1,4-Dicyclohexyl-2,5-diméthylbenzène [French] [ACD/IUPAC Name]
1,4-Dicyclohexyl-2,5-dimethylbenzol [German] [ACD/IUPAC Name]
1,4-Dimethyl-2,5-dicyclohexylbenzene
Benzene, 1,4-dicyclohexyl-2,5-dimethyl- [ACD/Index Name]
2,5-Dicyclohexyl-p-xylene
4516-08-9 [RN]
AC1LDOGM
AGN-PC-0JTYOR
c20h30
More...

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

Density: 1.0±0.1 g/cm3
Boiling Point: 396.5±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.4 mmHg at 25°C
Enthalpy of Vaporization: 62.2±0.8 kJ/mol
Flash Point: 196.1±15.1 °C
Index of Refraction: 1.528
Molar Refractivity: 87.6±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 8.18
ACD/LogD (pH 5.5): 6.93
ACD/BCF (pH 5.5): 109323.60
ACD/KOC (pH 5.5): 140698.72
ACD/LogD (pH 7.4): 6.93
ACD/BCF (pH 7.4): 109323.60
ACD/KOC (pH 7.4): 140698.72
Polar Surface Area: 0 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 284.4±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) =  8.72

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  359.26  (Adapted Stein & Brown method)
    Melting Pt (deg C):  108.43  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.21E-005  (Modified Grain method)
    Subcooled liquid VP: 7.95E-005 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):  0.0006472
       log Kow used: 8.72 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0069477 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.64E-002  atm-m3/mole
   Group Method:   3.38E-003  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  6.653E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.72  (KowWin est)
  Log Kaw used:  0.033  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.687
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8375
   Biowin2 (Non-Linear Model)     :   0.8140
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3021  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.1834  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1846
   Biowin6 (MITI Non-Linear Model):   0.1769
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.4612
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   2.6615
     BioHC Half-Life (days)     : 458.6639

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.0106 Pa (7.95E-005 mm Hg)
  Log Koa (Koawin est  ): 8.687
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000283 
       Octanol/air (Koa) model:  0.000119 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0101 
       Mackay model           :  0.0221 
       Octanol/air (Koa) model:  0.00946 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  38.0873 E-12 cm3/molecule-sec
      Half-Life =     0.281 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.370 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.0161 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  6.454E+005
      Log Koc:  5.810 

 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 = 2.452 (BCF = 282.9)
       log Kow used: 8.72 (estimated)

 Volatilization from Water:
    Henry LC:  0.00338 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.963  hours
    Half-Life from Model Lake :      159.3  hours   (6.638 days)

 Removal In Wastewater Treatment:
    Total removal:              94.03  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.25  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       0.0952          6.74         1000       
   Water     1.91            900          1000       
   Soil      28              1.8e+003     1000       
   Sediment  70              8.1e+003     0          
     Persistence Time: 3.1e+003 hr




                    

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