ChemSpider 2D Image | MFCD03940705 | C18H16O4

MFCD03940705

  • Molecular FormulaC18H16O4
  • Average mass296.317 Da
  • Monoisotopic mass296.104858 Da
  • ChemSpider ID71081431

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

1,3-Cyclobutanedicarboxylic acid, 2,4-diphenyl-, trans- [ACD/Index Name]
Acide trans-2,4-diphényl-1,3-cyclobutanedicarboxylique [French] [ACD/IUPAC Name]
MFCD03940705
trans-2,4-Diphenyl-1,3-cyclobutandicarbonsäure [German] [ACD/IUPAC Name]
trans-2,4-Diphenyl-1,3-cyclobutanedicarboxylic acid [ACD/IUPAC Name]
α-Truxillic Acid
2,4-Diphenyl-1,3-cyclobutanedicarboxylic acid [ACD/IUPAC 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: 470.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 252.4±25.2 °C
Index of Refraction: 1.629
Molar Refractivity: 79.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 1.12
ACD/KOC (pH 5.5): 7.94
ACD/LogD (pH 7.4): -1.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 223.8±3.0 cm3

Click to predict properties on the Chemicalize site


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