ChemSpider 2D Image | 1,2-Dihydroxyethyl thiocyanate | C3H5NO2S

1,2-Dihydroxyethyl thiocyanate

  • Molecular FormulaC3H5NO2S
  • Average mass119.142 Da
  • Monoisotopic mass119.004097 Da
  • ChemSpider ID61034976

More details:






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

1,2-Dihydroxyethyl thiocyanate [ACD/IUPAC Name]
1,2-Dihydroxyethylthiocyanat [German] [ACD/IUPAC Name]
Thiocyanate de 1,2-dihydroxyéthyle [French] [ACD/IUPAC Name]
Thiocyanic acid, 1,2-dihydroxyethyl ester [ACD/Index Name]
689-04-3 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 353.5±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.3±6.0 kJ/mol
Flash Point: 167.6±25.1 °C
Index of Refraction: 1.580
Molar Refractivity: 26.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.67
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.59
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.58
Polar Surface Area: 90 Å2
Polarizability: 10.7±0.5 10-24cm3
Surface Tension: 79.6±3.0 dyne/cm
Molar Volume: 80.8±3.0 cm3

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