ChemSpider 2D Image | 1-(4-Methoxyphenyl)-1-oxo-2-propanyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate | C18H18O4S

1-(4-Methoxyphenyl)-1-oxo-2-propanyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate

  • Molecular FormulaC18H18O4S
  • Average mass330.398 Da
  • Monoisotopic mass330.092590 Da
  • ChemSpider ID29798058

More details:

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

1-(4-Methoxyphenyl)-1-oxo-2-propanyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate [ACD/IUPAC Name]
1-(4-Methoxyphenyl)-1-oxo-2-propanyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-carboxylat [German] [ACD/IUPAC Name]
4H-Cyclopenta[b]thiophene-2-carboxylic acid, 5,6-dihydro-, 2-(4-methoxyphenyl)-1-methyl-2-oxoethyl ester [ACD/Index Name]
5,6-Dihydro-4H-cyclopenta[b]thiophène-2-carboxylate de 1-(4-méthoxyphényl)-1-oxo-2-propanyle [French] [ACD/IUPAC 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: 528.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 273.4±30.1 °C
Index of Refraction: 1.597
Molar Refractivity: 89.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1773.37
ACD/KOC (pH 5.5): 7363.56
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1773.37
ACD/KOC (pH 7.4): 7363.56
Polar Surface Area: 81 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 262.7±3.0 cm3

Click to predict properties on the Chemicalize site


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