ChemSpider 2D Image | (2S)-2-Butyl-1-octadecanol | C22H46O

(2S)-2-Butyl-1-octadecanol

  • Molecular FormulaC22H46O
  • Average mass326.600 Da
  • Monoisotopic mass326.354858 Da
  • ChemSpider ID113061211

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Butyl-1-octadecanol [German] [ACD/IUPAC Name]
(2S)-2-Butyl-1-octadecanol [ACD/IUPAC Name]
(2S)-2-Butyl-1-octadécanol [French] [ACD/IUPAC Name]
1-Octadecanol, 2-butyl-, (2S)- [ACD/Index Name]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 382.7±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.0±6.0 kJ/mol
Flash Point: 133.1±7.1 °C
Index of Refraction: 1.454
Molar Refractivity: 105.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 10.26
ACD/LogD (pH 5.5): 9.63
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4105379.00
ACD/LogD (pH 7.4): 9.63
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4105379.00
Polar Surface Area: 20 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 31.3±3.0 dyne/cm
Molar Volume: 389.6±3.0 cm3

Click to predict properties on the Chemicalize site


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