ChemSpider 2D Image | phenylethylthiolate | C13H11O2S

phenylethylthiolate

  • Molecular FormulaC13H11O2S
  • Average mass231.291 Da
  • Monoisotopic mass231.048523 Da
  • ChemSpider ID25936068

  • Charge - Charge

More details:

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

2-Thiophenecarboxylic acid, 3-(2-phenylethyl)-, ion(1-) [ACD/Index Name]
3-(2-Phenylethyl)-2-thiophencarboxylat [German] [ACD/IUPAC Name]
3-(2-Phenylethyl)-2-thiophenecarboxylate [ACD/IUPAC Name]
3-(2-Phényléthyl)-2-thiophènecarboxylate [French] [ACD/IUPAC Name]
phenylethylthiolate

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

Density:
Boiling Point: 365.1±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.5±3.0 kJ/mol
Flash Point: 174.6±23.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 13.12
ACD/KOC (pH 5.5): 65.09
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.11
Polar Surface Area: 68 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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