ChemSpider 2D Image | 2-[(2-Hydroxypropyl)disulfanyl]-2-methylpropanoic acid | C7H14O3S2

2-[(2-Hydroxypropyl)disulfanyl]-2-methylpropanoic acid

  • Molecular FormulaC7H14O3S2
  • Average mass210.314 Da
  • Monoisotopic mass210.038437 Da
  • ChemSpider ID57499222

More details:

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

2-[(2-Hydroxypropyl)disulfanyl]-2-methylpropanoic acid [ACD/IUPAC Name]
2-[(2-Hydroxypropyl)disulfanyl]-2-methylpropansäure [German] [ACD/IUPAC Name]
Acide 2-[(2-hydroxypropyl)disulfanyl]-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-[(2-hydroxypropyl)dithio]-2-methyl- [ACD/Index Name]
156126-82-8 [RN]
2-HYDROXYPROPYLDITHIO-2'-ISOBUTYRIC ACID

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

Density: 1.3±0.1 g/cm3
Boiling Point: 342.5±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.9±6.0 kJ/mol
Flash Point: 161.0±23.7 °C
Index of Refraction: 1.564
Molar Refractivity: 53.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.12
ACD/LogD (pH 7.4): -1.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 108 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 164.6±3.0 cm3

Click to predict properties on the Chemicalize site


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