ChemSpider 2D Image | Isopropyl (12R)-12-(4-chlorophenyl)-12-hydroxydodecanoate | C21H33ClO3

Isopropyl (12R)-12-(4-chlorophenyl)-12-hydroxydodecanoate

  • Molecular FormulaC21H33ClO3
  • Average mass368.938 Da
  • Monoisotopic mass368.211823 Da
  • ChemSpider ID74168390

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(12R)-12-(4-Chlorophényl)-12-hydroxydodécanoate d'isopropyle [French] [ACD/IUPAC Name]
Benzenedodecanoic acid, 4-chloro-λ-hydroxy-, 1-methylethyl ester, (λR)- [ACD/Index Name]
Isopropyl (12R)-12-(4-chlorophenyl)-12-hydroxydodecanoate [ACD/IUPAC Name]
Isopropyl-(12R)-12-(4-chlorphenyl)-12-hydroxydodecanoat [German] [ACD/IUPAC 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: 461.2±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 232.7±21.8 °C
Index of Refraction: 1.506
Molar Refractivity: 104.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 6.53
ACD/LogD (pH 5.5): 6.10
ACD/BCF (pH 5.5): 25594.04
ACD/KOC (pH 5.5): 49765.79
ACD/LogD (pH 7.4): 6.10
ACD/BCF (pH 7.4): 25594.04
ACD/KOC (pH 7.4): 49765.79
Polar Surface Area: 47 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 350.9±3.0 cm3

Click to predict properties on the Chemicalize site


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