ChemSpider 2D Image | (3S)-3-Benzyl-4-heptanone | C14H20O

(3S)-3-Benzyl-4-heptanone

  • Molecular FormulaC14H20O
  • Average mass204.308 Da
  • Monoisotopic mass204.151413 Da
  • ChemSpider ID34985889

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Benzyl-4-heptanon [German] [ACD/IUPAC Name]
(3S)-3-Benzyl-4-heptanone [ACD/IUPAC Name]
(3S)-3-Benzyl-4-heptanone [French] [ACD/IUPAC Name]
4-Heptanone, 3-(phenylmethyl)-, (3S)- [ACD/Index Name]
231-317-4 [EINECS]
3-Benzyl-4-heptanone [ACD/IUPAC Name]
7492-37-7 [RN]
UNII-64UYT55005

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

Density: 0.9±0.1 g/cm3
Boiling Point: 290.5±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.0±3.0 kJ/mol
Flash Point: 107.9±7.3 °C
Index of Refraction: 1.493
Molar Refractivity: 63.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 341.54
ACD/KOC (pH 5.5): 2264.86
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 341.54
ACD/KOC (pH 7.4): 2264.86
Polar Surface Area: 17 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 33.2±3.0 dyne/cm
Molar Volume: 218.8±3.0 cm3

Click to predict properties on the Chemicalize site


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