ChemSpider 2D Image | 1-[2,6-Dimethyl-4-[2-(2-thienyl)ethenyl]phenyl] butanedioate | C18H18O4S

1-[2,6-Dimethyl-4-[2-(2-thienyl)ethenyl]phenyl] butanedioate

  • Molecular FormulaC18H18O4S
  • Average mass330.398 Da
  • Monoisotopic mass330.092590 Da
  • ChemSpider ID26516127

More details:

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

1-[2,6-Dimethyl-4-[2-(2-thienyl)ethenyl]phenyl] butanedioate
125722-33-0 [RN]
4-{2,6-Dimethyl-4-[2-(2-thienyl)vinyl]phenoxy}-4-oxobutanoic acid [ACD/IUPAC Name]
4-{2,6-Dimethyl-4-[2-(2-thienyl)vinyl]phenoxy}-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-{2,6-diméthyl-4-[2-(2-thiényl)vinyl]phénoxy}-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, mono[2,6-dimethyl-4-[2-(2-thienyl)ethenyl]phenyl] ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 510.5±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 262.6±26.8 °C
Index of Refraction: 1.642
Molar Refractivity: 93.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.81
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 72.35
ACD/KOC (pH 5.5): 335.71
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 1.18
ACD/KOC (pH 7.4): 5.47
Polar Surface Area: 92 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 259.9±3.0 cm3

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