ChemSpider 2D Image | (1S,2R,4R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl butyrate | C14H24O2

(1S,2R,4R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl butyrate

  • Molecular FormulaC14H24O2
  • Average mass224.339 Da
  • Monoisotopic mass224.177628 Da
  • ChemSpider ID32754829

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2R,4R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl butyrate [ACD/IUPAC Name]
(1S,2R,4R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-ylbutyrat [German] [ACD/IUPAC Name]
Butanoic acid, (1S,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester [ACD/Index Name]
Butyrate de (1S,2R,4R)-1,7,7-triméthylbicyclo[2.2.1]hept-2-yle [French] [ACD/IUPAC Name]
13109-70-1 [RN]
Butanoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-
Butyric acid, 2-bornyl ester

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

Density: 1.0±0.1 g/cm3
Boiling Point: 254.0±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.1±3.0 kJ/mol
Flash Point: 110.9±6.0 °C
Index of Refraction: 1.480
Molar Refractivity: 64.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1129.96
ACD/KOC (pH 5.5): 5333.12
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1129.96
ACD/KOC (pH 7.4): 5333.12
Polar Surface Area: 26 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 33.1±5.0 dyne/cm
Molar Volume: 227.5±5.0 cm3

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