ChemSpider 2D Image | Ethyl 4-(chlorocarbonyl)-3-thiomorpholinecarboxylate | C8H12ClNO3S

Ethyl 4-(chlorocarbonyl)-3-thiomorpholinecarboxylate

  • Molecular FormulaC8H12ClNO3S
  • Average mass237.704 Da
  • Monoisotopic mass237.022644 Da
  • ChemSpider ID57433301

More details:

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

3-Thiomorpholinecarboxylic acid, 4-(chlorocarbonyl)-, ethyl ester [ACD/Index Name]
4-(Chlorocarbonyl)-3-thiomorpholinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(chlorocarbonyl)-3-thiomorpholinecarboxylate [ACD/IUPAC Name]
Ethyl-4-(chlorcarbonyl)-3-thiomorpholincarboxylat [German] [ACD/IUPAC Name]
84381-67-9 [RN]
Ethyl 4-(chlorocarbonyl)thiomorpholine-3-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 367.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.4±3.0 kJ/mol
Flash Point: 176.2±27.9 °C
Index of Refraction: 1.535
Molar Refractivity: 55.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 4.20
ACD/KOC (pH 5.5): 97.17
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 4.20
ACD/KOC (pH 7.4): 97.17
Polar Surface Area: 72 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 177.2±3.0 cm3

Click to predict properties on the Chemicalize site


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