Found 1 result

Search term: C10H12 (Found by synonym)

ChemSpider 2D Image | Tricyclo[6.2.0.0~3,6~]deca-1(8),3(6)-diene | C10H12

Tricyclo[6.2.0.03,6]deca-1(8),3(6)-diene

  • Molecular FormulaC10H12
  • Average mass132.202 Da
  • Monoisotopic mass132.093903 Da
  • ChemSpider ID2033976

More details:






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

Tricyclo[6.2.0.03,6]deca-1(8),3(6)-dien [German] [ACD/IUPAC Name]
Tricyclo[6.2.0.03,6]deca-1(8),3(6)-diene [ACD/Index Name] [ACD/IUPAC Name]
Tricyclo[6.2.0.03,6]déca-1(8),3(6)-diène [French] [ACD/IUPAC Name]
681478-41-1 [RN]
AC1MBM4T
AGN-PC-0KKJ0V
AKOS004907821
C10H12
MFCD01845984
tricyclo[6.2.0.0(3,6)]deca-1(8),3(6)-diene
More...

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

Density: 1.1±0.1 g/cm3
Boiling Point: 229.4±15.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.2 mmHg at 25°C
Enthalpy of Vaporization: 44.7±0.8 kJ/mol
Flash Point: 66.0±15.2 °C
Index of Refraction: 1.580
Molar Refractivity: 41.1±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 116.67
ACD/KOC (pH 5.5): 1049.85
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 116.67
ACD/KOC (pH 7.4): 1049.85
Polar Surface Area: 0 Å2
Polarizability: 16.3±0.5 10-24cm3
Surface Tension: 35.8±5.0 dyne/cm
Molar Volume: 123.6±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) =  3.79

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  193.57  (Adapted Stein & Brown method)
    Melting Pt (deg C):  21.64  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.702  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  15.06
       log Kow used: 3.79 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  31.736 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]:  8.109E-003 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)         :   0.6846
   Biowin2 (Non-Linear Model)     :   0.7561
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9070  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6570  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4372
   Biowin6 (MITI Non-Linear Model):   0.5320
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1160
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.6041
     BioHC Half-Life (days)     :  40.1849

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  85.7 Pa (0.643 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.5E-008 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.26E-006 
       Mackay model           :  2.8E-006 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 113.7323 E-12 cm3/molecule-sec
      Half-Life =     0.094 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.129 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =   120.000000 E-17 cm3/molecule-sec
      Half-Life =     0.010 Days (at 7E11 mol/cm3)
      Half-Life =     13.752 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi): 2.03E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1763
      Log Koc:  3.246 

 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 = 2.221 (BCF = 166.4)
       log Kow used: 3.79 (estimated)

 Volatilization from Water:
    Henry LC:  0.00811 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:      1.256  hours
    Half-Life from Model Lake :      110.1  hours   (4.588 days)

 Removal In Wastewater Treatment:
    Total removal:              78.98  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:    14.39  percent
    Total to Air:               64.48  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0627          0.208        1000       
   Water     21.6            360          1000       
   Soil      76.6            720          1000       
   Sediment  1.75            3.24e+003    0          
     Persistence Time: 288 hr




                    

Click to predict properties on the Chemicalize site






Advertisement