ChemSpider 2D Image | 2-[(Ethoxycarbonothioyl)sulfanyl]butanoic acid | C7H12O3S2

2-[(Ethoxycarbonothioyl)sulfanyl]butanoic acid

  • Molecular FormulaC7H12O3S2
  • Average mass208.298 Da
  • Monoisotopic mass208.022781 Da
  • ChemSpider ID62835773

More details:

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

2-[(Ethoxycarbonothioyl)sulfanyl]butanoic acid [ACD/IUPAC Name]
2-[(Ethoxycarbonothioyl)sulfanyl]butansäure [German] [ACD/IUPAC Name]
Acide 2-[(éthoxycarbonothioyl)sulfanyl]butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-[(ethoxythioxomethyl)thio]- [ACD/Index Name]
51475-58-2 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 327.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 62.7±6.0 kJ/mol
Flash Point: 152.0±23.2 °C
Index of Refraction: 1.558
Molar Refractivity: 53.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.58
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.49
ACD/LogD (pH 7.4): -1.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 164.4±3.0 cm3

Click to predict properties on the Chemicalize site


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