ChemSpider 2D Image | (3S)-3-Methyl-5-phenylpentanal | C12H16O

(3S)-3-Methyl-5-phenylpentanal

  • Molecular FormulaC12H16O
  • Average mass176.255 Da
  • Monoisotopic mass176.120117 Da
  • ChemSpider ID34983432

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Methyl-5-phenylpentanal [German] [ACD/IUPAC Name]
(3S)-3-Methyl-5-phenylpentanal [ACD/IUPAC Name]
(3S)-3-Méthyl-5-phénylpentanal [French] [ACD/IUPAC Name]
Benzenepentanal, β-methyl-, (βS)- [ACD/Index Name]
(3R)-3-methyl-5-phenyl-pentanal
(3R)-3-Methyl-5-phenylpentanal [ACD/IUPAC Name]
(3R)-3-methyl-5-phenyl-valeraldehyde
55066-49-4 [RN]
PHENYLMETHYLPENTANAL
UNII-00RZ3F0O1X

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

Density: 0.9±0.1 g/cm3
Boiling Point: 277.4±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.6±3.0 kJ/mol
Flash Point: 132.6±13.0 °C
Index of Refraction: 1.498
Molar Refractivity: 54.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 112.02
ACD/KOC (pH 5.5): 1019.73
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 112.02
ACD/KOC (pH 7.4): 1019.73
Polar Surface Area: 17 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 186.0±3.0 cm3

Click to predict properties on the Chemicalize site


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