ChemSpider 2D Image | 4-Methylphenyl 3-fluoro-4-(heptyloxy)benzoate | C21H25FO3

4-Methylphenyl 3-fluoro-4-(heptyloxy)benzoate

  • Molecular FormulaC21H25FO3
  • Average mass344.420 Da
  • Monoisotopic mass344.178772 Da
  • ChemSpider ID57512138

More details:

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

3-Fluoro-4-(heptyloxy)benzoate de 4-méthylphényle [French] [ACD/IUPAC Name]
4-Methylphenyl 3-fluoro-4-(heptyloxy)benzoate [ACD/IUPAC Name]
4-Methylphenyl-3-fluor-4-(heptyloxy)benzoat [German] [ACD/IUPAC Name]
Benzoic acid, 3-fluoro-4-(heptyloxy)-, 4-methylphenyl ester [ACD/Index Name]
62435-35-2 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 458.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.8±3.0 kJ/mol
Flash Point: 222.5±22.2 °C
Index of Refraction: 1.527
Molar Refractivity: 97.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 7.61
ACD/LogD (pH 5.5): 7.26
ACD/BCF (pH 5.5): 192474.11
ACD/KOC (pH 5.5): 210925.73
ACD/LogD (pH 7.4): 7.26
ACD/BCF (pH 7.4): 192474.11
ACD/KOC (pH 7.4): 210925.73
Polar Surface Area: 36 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 316.4±3.0 cm3

Click to predict properties on the Chemicalize site


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