ChemSpider 2D Image | Ethyl 4-chloro-2-thiophenecarboxylate | C7H7ClO2S

Ethyl 4-chloro-2-thiophenecarboxylate

  • Molecular FormulaC7H7ClO2S
  • Average mass190.647 Da
  • Monoisotopic mass189.985519 Da
  • ChemSpider ID13916412

More details:

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

2-Thiophenecarboxylic acid, 4-chloro-, ethyl ester [ACD/Index Name]
4-Chloro-2-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-chloro-2-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-4-chlor-2-thiophencarboxylat [German] [ACD/IUPAC Name]
[59614-94-7] [RN]
4-Chloro-thiophene-2-carboxylic acid ethyl ester
59614-94-7 [RN]
AGN-PC-0NIEHB
AKOS016002382
ANW-70306
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 261.4±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.9±3.0 kJ/mol
    Flash Point: 111.9±21.8 °C
    Index of Refraction: 1.545
    Molar Refractivity: 45.9±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.04
    ACD/LogD (pH 5.5): 2.90
    ACD/BCF (pH 5.5): 93.80
    ACD/KOC (pH 5.5): 898.05
    ACD/LogD (pH 7.4): 2.90
    ACD/BCF (pH 7.4): 93.80
    ACD/KOC (pH 7.4): 898.05
    Polar Surface Area: 55 Å2
    Polarizability: 18.2±0.5 10-24cm3
    Surface Tension: 42.5±3.0 dyne/cm
    Molar Volume: 145.3±3.0 cm3

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