ChemSpider 2D Image | 6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-yl bis(2-chloroethyl)carbamate | C26H37Cl2NO3

6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-yl bis(2-chloroethyl)carbamate

  • Molecular FormulaC26H37Cl2NO3
  • Average mass482.483 Da
  • Monoisotopic mass481.215057 Da
  • ChemSpider ID26502937

More details:






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

6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-yl bis(2-chloroethyl)carbamate [ACD/IUPAC Name]
6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-yl-bis(2-chlorethyl)carbamat [German] [ACD/IUPAC Name]
Bis(2-chloroéthyl)carbamate de 6,6,9-triméthyl-3-pentyl-6a,7,8,10a-tétrahydro-6H-benzo[c]chromén-1-yle [French] [ACD/IUPAC Name]
Carbamic acid, N,N-bis(2-chloroethyl)-, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-yl ester [ACD/Index Name]
87074-88-2 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 548.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 285.6±30.1 °C
Index of Refraction: 1.530
Molar Refractivity: 132.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 8.96
ACD/LogD (pH 5.5): 8.31
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 787766.63
ACD/LogD (pH 7.4): 8.31
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 787766.63
Polar Surface Area: 39 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 428.5±3.0 cm3

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