ChemSpider 2D Image | (2S)-2-Methyl-3-oxooctadecanethioic S-acid | C19H36O2S

(2S)-2-Methyl-3-oxooctadecanethioic S-acid

  • Molecular FormulaC19H36O2S
  • Average mass328.553 Da
  • Monoisotopic mass328.243591 Da
  • ChemSpider ID61712388

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Methyl-3-oxooctadecanethioic S-acid [ACD/IUPAC Name]
(2S)-2-Methyl-3-oxooctadecanthio-S-säure [German] [ACD/IUPAC Name]
Octadecanethioic acid, 2-methyl-3-oxo-, (2S)- [ACD/Index Name]
S-Acide de (2S)-2-méthyl-3-oxooctadécanethioïque [French] [ACD/IUPAC Name]
(2S)-2-Methyl-3-oxooctadecanoic acid [ACD/IUPAC Name]
14U

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

Density: 0.9±0.1 g/cm3
Boiling Point: 425.2±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.0±3.0 kJ/mol
Flash Point: 211.0±24.0 °C
Index of Refraction: 1.471
Molar Refractivity: 98.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 7.66
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 1059.90
ACD/KOC (pH 5.5): 1009.39
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 68.77
ACD/KOC (pH 7.4): 65.49
Polar Surface Area: 73 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 34.0±3.0 dyne/cm
Molar Volume: 350.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement