ChemSpider 2D Image | 2-Methyl-1,4-oxathiine-3-carboxylic acid | C6H6O3S

2-Methyl-1,4-oxathiine-3-carboxylic acid

  • Molecular FormulaC6H6O3S
  • Average mass158.175 Da
  • Monoisotopic mass158.003769 Da
  • ChemSpider ID24191636

More details:






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

1,4-Oxathiin-3-carboxylic acid, 2-methyl- [ACD/Index Name]
2-Methyl-1,4-oxathiin-3-carbonsäure [German] [ACD/IUPAC Name]
2-Methyl-1,4-oxathiine-3-carboxylic acid [ACD/IUPAC Name]
Acide 2-méthyl-1,4-oxathiine-3-carboxylique [French] [ACD/IUPAC Name]
1,4-OXATHIIN-3-CARBOXYLIC ACID 2-METHYL-
1,4-Oxathiin-3-carboxylic acid, 2-methyl- (9CI)
1,4-OXATHIIN-3-CARBOXYLICACID, 2-METHYL-
1,4-Oxathiin-3-carboxylicacid,2-methyl-(9CI)
167872-42-6 [RN]
MFCD18806331

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

Density: 1.4±0.1 g/cm3
Boiling Point: 249.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 53.6±6.0 kJ/mol
Flash Point: 104.8±27.3 °C
Index of Refraction: 1.600
Molar Refractivity: 38.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.26
ACD/LogD (pH 5.5): -2.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 72 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 111.8±3.0 cm3

Click to predict properties on the Chemicalize site






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