ChemSpider 2D Image | 3,3'-(1,4-Phenylene)bis(4-cyano-5-ethyl-2-thiophenecarboxylic acid) | C22H16N2O4S2

3,3'-(1,4-Phenylene)bis(4-cyano-5-ethyl-2-thiophenecarboxylic acid)

  • Molecular FormulaC22H16N2O4S2
  • Average mass436.503 Da
  • Monoisotopic mass436.055145 Da
  • ChemSpider ID26328806

More details:

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

2-Thiophenecarboxylic acid, 3,3'-(1,4-phenylene)bis[4-cyano-5-ethyl- [ACD/Index Name]
3,3'-(1,4-Phenylen)bis(4-cyan-5-ethyl-2-thiophencarbonsäure) [German] [ACD/IUPAC Name]
3,3'-(1,4-Phenylene)bis(4-cyano-5-ethyl-2-thiophenecarboxylic acid) [ACD/IUPAC Name]
3,3'-Benzene-1,4-Diylbis(4-Cyano-5-Ethylthiophene-2-Carboxylic Acid)
Acide 3,3'-(1,4-phénylène)bis(4-cyano-5-éthyl-2-thiophènecarboxylique) [French] [ACD/IUPAC Name]
RN8

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

Density: 1.5±0.1 g/cm3
Boiling Point: 593.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 312.4±30.1 °C
Index of Refraction: 1.695
Molar Refractivity: 112.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 179 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 85.8±5.0 dyne/cm
Molar Volume: 293.1±5.0 cm3

Click to predict properties on the Chemicalize site


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