ChemSpider 2D Image | (2S)-2-Ethylpentanal | C7H14O

(2S)-2-Ethylpentanal

  • Molecular FormulaC7H14O
  • Average mass114.186 Da
  • Monoisotopic mass114.104462 Da
  • ChemSpider ID61470400

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Ethylpentanal [German] [ACD/IUPAC Name]
(2S)-2-Ethylpentanal [ACD/IUPAC Name]
(2S)-2-Éthylpentanal [French] [ACD/IUPAC Name]
Pentanal, 2-ethyl-, (2S)- [ACD/Index Name]
66875-72-7 [RN]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 141.2±8.0 °C at 760 mmHg
Vapour Pressure: 5.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 37.8±3.0 kJ/mol
Flash Point: 32.6±5.4 °C
Index of Refraction: 1.403
Molar Refractivity: 34.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.91
ACD/KOC (pH 5.5): 377.10
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.91
ACD/KOC (pH 7.4): 377.10
Polar Surface Area: 17 Å2
Polarizability: 13.7±0.5 10-24cm3
Surface Tension: 25.0±3.0 dyne/cm
Molar Volume: 141.8±3.0 cm3

Click to predict properties on the Chemicalize site


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