ChemSpider 2D Image | 5-(Phenoxymethyl)-2-thiophenecarboxylic acid | C12H10O3S

5-(Phenoxymethyl)-2-thiophenecarboxylic acid

  • Molecular FormulaC12H10O3S
  • Average mass234.271 Da
  • Monoisotopic mass234.035065 Da
  • ChemSpider ID26053544

More details:

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

2-Thiophenecarboxylic acid, 5-(phenoxymethyl)- [ACD/Index Name]
5-(Phenoxymethyl)-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-(Phenoxymethyl)-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 5-(phénoxyméthyl)-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
[61855-05-8] [RN]
5-(phenoxymethyl)thiophene-2-carboxylic acid
5-(Phenoxymethyl)thiophene-2-carboxylicacid
61855-05-8 [RN]
MFCD17480467 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 416.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 205.8±25.9 °C
Index of Refraction: 1.631
Molar Refractivity: 62.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 2.30
ACD/KOC (pH 5.5): 17.50
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.34
Polar Surface Area: 75 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 176.1±3.0 cm3

Click to predict properties on the Chemicalize site


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