ChemSpider 2D Image | 4-Chloro-3-methylphenyl 4-methylpentyl sebacate | C23H35ClO4

4-Chloro-3-methylphenyl 4-methylpentyl sebacate

  • Molecular FormulaC23H35ClO4
  • Average mass410.975 Da
  • Monoisotopic mass410.222382 Da
  • ChemSpider ID29744230

More details:

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

4-Chlor-3-methylphenyl-4-methylpentylsebacat [German] [ACD/IUPAC Name]
4-Chloro-3-methylphenyl 4-methylpentyl sebacate [ACD/IUPAC Name]
Decanedioic acid, 4-chloro-3-methylphenyl 4-methylpentyl ester [ACD/Index Name]
Sébacate de 4-chloro-3-méthylphényle et de 4-méthylpentyle [French] [ACD/IUPAC Name]
Sebacic acid, 4-chloro-3-methylphenyl isohexyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 489.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 147.4±26.3 °C
Index of Refraction: 1.496
Molar Refractivity: 113.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 7.55
ACD/LogD (pH 5.5): 7.32
ACD/BCF (pH 5.5): 215509.56
ACD/KOC (pH 5.5): 228702.33
ACD/LogD (pH 7.4): 7.32
ACD/BCF (pH 7.4): 215509.56
ACD/KOC (pH 7.4): 228702.33
Polar Surface Area: 53 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 390.2±3.0 cm3

Click to predict properties on the Chemicalize site


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