ChemSpider 2D Image | 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 4-(chloromethyl)benzoate | C18H23ClO2

1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 4-(chloromethyl)benzoate

  • Molecular FormulaC18H23ClO2
  • Average mass306.827 Da
  • Monoisotopic mass306.138672 Da
  • ChemSpider ID35891575

More details:

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

1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 4-(chloromethyl)benzoate [ACD/IUPAC Name]
1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl-4-(chlormethyl)benzoat [German] [ACD/IUPAC Name]
4-(Chlorométhyl)benzoate de 1,7,7-triméthylbicyclo[2.2.1]hept-2-yle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(chloromethyl)-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 394.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.5±3.0 kJ/mol
Flash Point: 197.3±18.6 °C
Index of Refraction: 1.553
Molar Refractivity: 84.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 8417.86
ACD/KOC (pH 5.5): 22451.72
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 8417.86
ACD/KOC (pH 7.4): 22451.72
Polar Surface Area: 26 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 42.3±5.0 dyne/cm
Molar Volume: 265.4±5.0 cm3

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