ChemSpider 2D Image | (2S)-2-Ethyl-3-methyl-1-butanol | C7H16O

(2S)-2-Ethyl-3-methyl-1-butanol

  • Molecular FormulaC7H16O
  • Average mass116.201 Da
  • Monoisotopic mass116.120117 Da
  • ChemSpider ID32787083

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Ethyl-3-methyl-1-butanol [German] [ACD/IUPAC Name]
(2S)-2-Ethyl-3-methyl-1-butanol [ACD/IUPAC Name]
(2S)-2-Éthyl-3-méthyl-1-butanol [French] [ACD/IUPAC Name]
1-Butanol, 2-ethyl-3-methyl-, (2S)- [ACD/Index Name]
(2S)-2-Ethyl-3-methylbutan-1-ol
1-BUTANOL, 2-ETHYL-3-METHYL-, (S)-
56116-35-9 [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: 152.7±8.0 °C at 760 mmHg
Vapour Pressure: 1.3±0.6 mmHg at 25°C
Enthalpy of Vaporization: 45.4±6.0 kJ/mol
Flash Point: 51.6±8.7 °C
Index of Refraction: 1.419
Molar Refractivity: 35.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.48
ACD/KOC (pH 5.5): 258.65
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.48
ACD/KOC (pH 7.4): 258.65
Polar Surface Area: 20 Å2
Polarizability: 14.2±0.5 10-24cm3
Surface Tension: 26.2±3.0 dyne/cm
Molar Volume: 142.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement