ChemSpider 2D Image | (2S)-2-Butyl-1-octanol | C12H26O

(2S)-2-Butyl-1-octanol

  • Molecular FormulaC12H26O
  • Average mass186.334 Da
  • Monoisotopic mass186.198364 Da
  • ChemSpider ID34992460

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Butyl-1-octanol [German] [ACD/IUPAC Name]
(2S)-2-Butyl-1-octanol [ACD/IUPAC Name]
(2S)-2-Butyl-1-octanol [French] [ACD/IUPAC Name]
1-Octanol, 2-butyl-, (2S)- [ACD/Index Name]
223-470-0 [EINECS]
3913-02-8 [RN]
Butyloctanol
UNII-N442D9VO79

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

Density: 0.8±0.1 g/cm3
Boiling Point: 245.5±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 56.1±6.0 kJ/mol
Flash Point: 100.1±6.5 °C
Index of Refraction: 1.440
Molar Refractivity: 59.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 843.48
ACD/KOC (pH 5.5): 4325.98
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 843.48
ACD/KOC (pH 7.4): 4325.98
Polar Surface Area: 20 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 29.6±3.0 dyne/cm
Molar Volume: 224.5±3.0 cm3

Click to predict properties on the Chemicalize site


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