ChemSpider 2D Image | Ethyl 4-(3-thienylcarbonyl)benzoate | C14H12O3S

Ethyl 4-(3-thienylcarbonyl)benzoate

  • Molecular FormulaC14H12O3S
  • Average mass260.308 Da
  • Monoisotopic mass260.050720 Da
  • ChemSpider ID21398087

More details:

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

4-(3-Thiénylcarbonyl)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(3-thienylcarbonyl)-, ethyl ester [ACD/Index Name]
Ethyl 4-(3-thienylcarbonyl)benzoate [ACD/IUPAC Name]
Ethyl-4-(3-thienylcarbonyl)benzoat [German] [ACD/IUPAC Name]
3-(4-carboethoxybenzoyl )thiophene
3-(4-carboethoxybenzoyl)thiophene
896618-52-3 [RN]
ethyl 4-(thiophene-3-carbonyl)benzoate
MFCD07699017 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 400.0±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.1±3.0 kJ/mol
Flash Point: 195.7±22.3 °C
Index of Refraction: 1.585
Molar Refractivity: 70.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 303.34
ACD/KOC (pH 5.5): 2080.51
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 303.34
ACD/KOC (pH 7.4): 2080.51
Polar Surface Area: 72 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 211.4±3.0 cm3

Click to predict properties on the Chemicalize site


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