ChemSpider 2D Image | (1S)-1-Phenylpropyl acetate | C11H14O2

(1S)-1-Phenylpropyl acetate

  • Molecular FormulaC11H14O2
  • Average mass178.228 Da
  • Monoisotopic mass178.099380 Da
  • ChemSpider ID23246610
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(1S)-1-Phenylpropyl acetate [ACD/IUPAC Name]
(1S)-1-Phenylpropyl-acetat [German] [ACD/IUPAC Name]
Acétate de (1S)-1-phénylpropyle [French] [ACD/IUPAC Name]
Benzenemethanol, α-ethyl-, acetate, (αS)- [ACD/Index Name]
Acetic acid (S)-1-phenyl-propyl ester

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

Density: 1.0±0.1 g/cm3
Boiling Point: 229.5±9.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.6±3.0 kJ/mol
Flash Point: 91.7±17.1 °C
Index of Refraction: 1.497
Molar Refractivity: 51.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 83.51
ACD/KOC (pH 5.5): 826.38
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 83.51
ACD/KOC (pH 7.4): 826.38
Polar Surface Area: 26 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 176.0±3.0 cm3

Click to predict properties on the Chemicalize site






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