ChemSpider 2D Image | Ethyl 5-ethoxy-1,3-oxathiolane-2-carboxylate | C8H14O4S

Ethyl 5-ethoxy-1,3-oxathiolane-2-carboxylate

  • Molecular FormulaC8H14O4S
  • Average mass206.259 Da
  • Monoisotopic mass206.061279 Da
  • ChemSpider ID24208485

More details:

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

1,3-Oxathiolane-2-carboxylic acid, 5-ethoxy-, ethyl ester [ACD/Index Name]
5-Éthoxy-1,3-oxathiolane-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-ethoxy-1,3-oxathiolane-2-carboxylate [ACD/IUPAC Name]
Ethyl-5-ethoxy-1,3-oxathiolan-2-carboxylat [German] [ACD/IUPAC Name]
1,3-Oxathiolane-2-carboxylic acid, 5-ethoxy-, ethyl ester (9CI)
1,3-OXATHIOLANE-2-CARBOXYLIC ACID,5-ETHOXY-,ETHYL ESTER,(2R)-
1,3-Oxathiolane-2-carboxylicacid,5-ethoxy-,ethylester(9CI)
171775-74-9 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 281.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.0±3.0 kJ/mol
Flash Point: 127.0±15.4 °C
Index of Refraction: 1.491
Molar Refractivity: 50.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 4.20
ACD/KOC (pH 5.5): 97.30
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 4.20
ACD/KOC (pH 7.4): 97.30
Polar Surface Area: 70 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 39.5±5.0 dyne/cm
Molar Volume: 173.7±5.0 cm3

Click to predict properties on the Chemicalize site


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