ChemSpider 2D Image | 1-[3',5'-Bis(2-methyl-2-propanyl)-3-biphenylyl]-3-(4-chlorophenyl)urea | C27H31ClN2O

1-[3',5'-Bis(2-methyl-2-propanyl)-3-biphenylyl]-3-(4-chlorophenyl)urea

  • Molecular FormulaC27H31ClN2O
  • Average mass435.001 Da
  • Monoisotopic mass434.212494 Da
  • ChemSpider ID76760401

More details:

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

1-[3',5'-Bis(2-methyl-2-propanyl)-3-biphenylyl]-3-(4-chlorophenyl)urea [ACD/IUPAC Name]
1-[3',5'-Bis(2-méthyl-2-propanyl)-3-biphénylyl]-3-(4-chlorophényl)urée [French] [ACD/IUPAC Name]
1-[3',5'-Bis(2-methyl-2-propanyl)-3-biphenylyl]-3-(4-chlorphenyl)harnstoff [German] [ACD/IUPAC Name]
Urea, N-[3',5'-bis(1,1-dimethylethyl)[1,1'-biphenyl]-3-yl]-N'-(4-chlorophenyl)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 482.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 245.3±28.7 °C
Index of Refraction: 1.607
Molar Refractivity: 131.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.98
ACD/LogD (pH 5.5): 8.00
ACD/BCF (pH 5.5): 709050.25
ACD/KOC (pH 5.5): 536394.81
ACD/LogD (pH 7.4): 8.00
ACD/BCF (pH 7.4): 709016.75
ACD/KOC (pH 7.4): 536369.50
Polar Surface Area: 41 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 380.5±3.0 cm3

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