ChemSpider 2D Image | (1S)-1-(4-Acetoxyphenyl)propyl acetate | C13H16O4

(1S)-1-(4-Acetoxyphenyl)propyl acetate

  • Molecular FormulaC13H16O4
  • Average mass236.264 Da
  • Monoisotopic mass236.104858 Da
  • ChemSpider ID23194230

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-(4-Acetoxyphenyl)propyl acetate [ACD/IUPAC Name]
(1S)-1-(4-Acetoxyphenyl)propyl-acetat [German] [ACD/IUPAC Name]
(1S)-1-[4-(acetyloxy)phenyl]propyl acetate
Acétate de (1S)-1-(4-acétoxyphényl)propyle [French] [ACD/IUPAC Name]
Benzenemethanol, 4-(acetyloxy)-α-ethyl-, acetate, (αS)- [ACD/Index Name]
129319-15-9 [RN]
Acetic acid (S)-1-(4-acetoxy-phenyl)-propyl ester
DIHYDROGALANGAL ACETATE
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL441646/
UNII-5NKX5Z17DY

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

Density: 1.1±0.1 g/cm3
Boiling Point: 312.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.3±3.0 kJ/mol
Flash Point: 148.9±21.6 °C
Index of Refraction: 1.500
Molar Refractivity: 62.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.78
ACD/KOC (pH 5.5): 562.40
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.78
ACD/KOC (pH 7.4): 562.40
Polar Surface Area: 53 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 213.6±3.0 cm3

Click to predict properties on the Chemicalize site


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