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Search term: MF = 'C_{18}H_{35}N'
ChemSpider 2D Image | 1-Dodecyl-2-vinylpyrrolidine | C18H35N

1-Dodecyl-2-vinylpyrrolidine

  • Molecular FormulaC18H35N
  • Average mass265.477 Da
  • Monoisotopic mass265.276947 Da
  • ChemSpider ID4317014

More details:

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

1-Dodecyl-2-vinylpyrrolidin [German] [ACD/IUPAC Name]
1-Dodecyl-2-vinylpyrrolidine [ACD/IUPAC Name]
1-Dodécyl-2-vinylpyrrolidine [French] [ACD/IUPAC Name]
Pyrrolidine, 1-dodecyl-2-ethenyl- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 336.0±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.9±3.0 kJ/mol
Flash Point: 142.4±21.7 °C
Index of Refraction: 1.495
Molar Refractivity: 88.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 7.27
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 57.19
ACD/KOC (pH 5.5): 84.13
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 285.91
ACD/KOC (pH 7.4): 420.57
Polar Surface Area: 3 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 303.3±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) =  7.08

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  326.99  (Adapted Stein & Brown method)
    Melting Pt (deg C):  89.01  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000111  (Modified Grain method)
    Subcooled liquid VP: 0.00046 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):  0.1764
       log Kow used: 7.08 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.11081 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Aliphatic Amines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.41E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.198E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.08  (KowWin est)
  Log Kaw used:  -1.464  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.544
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5243
   Biowin2 (Non-Linear Model)     :   0.2422
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6560  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4458  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4717
   Biowin6 (MITI Non-Linear Model):   0.3615
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.8913
 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):  0.0613 Pa (0.00046 mm Hg)
  Log Koa (Koawin est  ): 8.544
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.89E-005 
       Octanol/air (Koa) model:  8.59E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00176 
       Mackay model           :  0.0039 
       Octanol/air (Koa) model:  0.00683 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 139.8667 E-12 cm3/molecule-sec
      Half-Life =     0.076 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.918 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): 0.00283 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.732E+005
      Log Koc:  5.239 

 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 = 3.197 (BCF = 1572)
       log Kow used: 7.08 (estimated)

 Volatilization from Water:
    Henry LC:  0.000841 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.797  hours
    Half-Life from Model Lake :      167.1  hours   (6.964 days)

 Removal In Wastewater Treatment:
    Total removal:              93.89  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.05  percent
    Total to Air:                0.06  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0283          1.7          1000       
   Water     2.09            900          1000       
   Soil      29.5            1.8e+003     1000       
   Sediment  68.4            8.1e+003     0          
     Persistence Time: 2.93e+003 hr

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