ChemSpider 2D Image | MFCD12755198 | C7H10O2S

MFCD12755198

  • Molecular FormulaC7H10O2S
  • Average mass158.218 Da
  • Monoisotopic mass158.040146 Da
  • ChemSpider ID29738395

More details:

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

3-Thiétanylidèneacétate d'éthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-(3-thietanylidene)-, ethyl ester [ACD/Index Name]
Ethyl 2-(thietan-3-ylidene)acetate
Ethyl 3-thietanylideneacetate [ACD/IUPAC Name]
Ethyl-3-thietanylidenacetat [German] [ACD/IUPAC Name]
MFCD12755198
1223573-30-5 [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: 244.3±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.1±3.0 kJ/mol
Flash Point: 111.2±13.4 °C
Index of Refraction: 1.625
Molar Refractivity: 43.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 10.28
ACD/KOC (pH 5.5): 184.56
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 10.28
ACD/KOC (pH 7.4): 184.56
Polar Surface Area: 52 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 124.2±3.0 cm3

Click to predict properties on the Chemicalize site


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