ChemSpider 2D Image | Ethyl 1-azepanecarbodithioate | C9H17NS2

Ethyl 1-azepanecarbodithioate

  • Molecular FormulaC9H17NS2
  • Average mass203.368 Da
  • Monoisotopic mass203.080246 Da
  • ChemSpider ID34018218

More details:

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

1-Azépanecarbodithioate d'éthyle [French] [ACD/IUPAC Name]
1H-Azepine-1-carbodithioic acid, hexahydro-, ethyl ester [ACD/Index Name]
Ethyl 1-azepanecarbodithioate [ACD/IUPAC Name]
Ethyl-1-azepancarbodithioat [German] [ACD/IUPAC Name]
64352-81-4 [RN]
Ethyl azepane-1-carbodithioate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 289.7±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.9±3.0 kJ/mol
Flash Point: 129.0±22.6 °C
Index of Refraction: 1.566
Molar Refractivity: 60.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.51
ACD/KOC (pH 5.5): 448.04
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.51
ACD/KOC (pH 7.4): 448.05
Polar Surface Area: 61 Å2
Polarizability: 23.9±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 184.9±3.0 cm3

Click to predict properties on the Chemicalize site


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