ChemSpider 2D Image | 1-[(2-Chloroethyl)sulfanyl]-1-nitroethane | C4H8ClNO2S

1-[(2-Chloroethyl)sulfanyl]-1-nitroethane

  • Molecular FormulaC4H8ClNO2S
  • Average mass169.630 Da
  • Monoisotopic mass168.996429 Da
  • ChemSpider ID32992202

More details:

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

1-[(2-Chlorethyl)sulfanyl]-1-nitroethan [German] [ACD/IUPAC Name]
1-[(2-Chloroethyl)sulfanyl]-1-nitroethane [ACD/IUPAC Name]
1-[(2-Chloroéthyl)sulfanyl]-1-nitroéthane [French] [ACD/IUPAC Name]
Ethane, 1-[(2-chloroethyl)thio]-1-nitro- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 240.5±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.7±3.0 kJ/mol
Flash Point: 99.2±21.8 °C
Index of Refraction: 1.504
Molar Refractivity: 39.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 10.16
ACD/KOC (pH 5.5): 162.32
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.54
Polar Surface Area: 71 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 133.1±3.0 cm3

Click to predict properties on the Chemicalize site


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