ChemSpider 2D Image | Lauramidopropyl dimethylamine | C17H36N2O

Lauramidopropyl dimethylamine

  • Molecular FormulaC17H36N2O
  • Average mass284.480 Da
  • Monoisotopic mass284.282776 Da
  • ChemSpider ID46546

More details:

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

(Laurylamidopropyl)dimethylamine
221-661-3 [EINECS]
3179-80-4 [RN]
Dodecanamide, N-[3-(dimethylamino)propyl]- [ACD/Index Name]
Lauramidopropyl dimethylamine
MFCD00085551 [MDL number]
N-[3-(Dimethylamino)propyl]dodecanamid [German] [ACD/IUPAC Name]
N-[3-(Dimethylamino)propyl]dodecanamide [ACD/IUPAC Name]
N-[3-(Diméthylamino)propyl]dodécanamide [French] [ACD/IUPAC Name]
N-[3-(Dimethylamino)propyl]lauramide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

FS588RR72J [DBID]
576670_ALDRICH [DBID]
NSC 79892 [DBID]
NSC79892 [DBID]
UNII:FS588RR72J [DBID]
UNII-FS588RR72J [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 418.9±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.3±3.0 kJ/mol
Flash Point: 207.1±24.0 °C
Index of Refraction: 1.459
Molar Refractivity: 88.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 2.25
ACD/KOC (pH 5.5): 8.73
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 37.73
ACD/KOC (pH 7.4): 146.32
Polar Surface Area: 32 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 32.1±3.0 dyne/cm
Molar Volume: 322.3±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) =  4.40

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  407.12  (Adapted Stein & Brown method)
    Melting Pt (deg C):  150.12  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.97E-007  (Modified Grain method)
    Subcooled liquid VP: 5.58E-006 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):  2.623
       log Kow used: 4.40 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  41.269 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.65E-010  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.238E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.40  (KowWin est)
  Log Kaw used:  -7.826  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.226
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7254
   Biowin2 (Non-Linear Model)     :   0.7826
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5598  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6238  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5512
   Biowin6 (MITI Non-Linear Model):   0.5002
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.0252
 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):  0.000744 Pa (5.58E-006 mm Hg)
  Log Koa (Koawin est  ): 12.226
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00403 
       Octanol/air (Koa) model:  0.413 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.127 
       Mackay model           :  0.244 
       Octanol/air (Koa) model:  0.971 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 107.3863 E-12 cm3/molecule-sec
      Half-Life =     0.100 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.195 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.186 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.844E+004
      Log Koc:  4.454 

 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 = 1.690 (BCF = 49.02)
       log Kow used: 4.40 (estimated)

 Volatilization from Water:
    Henry LC:  3.65E-010 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.706E+006  hours   (1.127E+005 days)
    Half-Life from Model Lake : 2.952E+007  hours   (1.23E+006 days)

 Removal In Wastewater Treatment:
    Total removal:              50.68  percent
    Total biodegradation:        0.48  percent
    Total sludge adsorption:    50.20  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       0.00289         2.39         1000       
   Water     10.4            900          1000       
   Soil      83.4            1.8e+003     1000       
   Sediment  6.22            8.1e+003     0          
     Persistence Time: 1.92e+003 hr

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