ChemSpider 2D Image | Heptyl 4-hydroxy(~2~H_4_)benzoate | C14H16D4O3

Heptyl 4-hydroxy(2H4)benzoate

  • Molecular FormulaC14H16D4O3
  • Average mass240.331 Da
  • Monoisotopic mass240.166351 Da
  • ChemSpider ID30773449

  • Non-standard isotope - Non-standard isotope

More details:

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

4-Hydroxy(2H4)benzoate d'heptyle [French] [ACD/IUPAC Name]
Benzoic-2,3,5,6-d4 acid, 4-hydroxy-, heptyl ester [ACD/Index Name]
Heptyl 4-hydroxy(2H4)benzoate [ACD/IUPAC Name]
Heptyl-4-hydroxy(2H4)benzoat [German] [ACD/IUPAC Name]
n-Heptyl 4-Hydroxybenzoate-2,3,5,6-d4
n-Heptylparaben

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

Density: 1.1±0.1 g/cm3
Boiling Point: 353.6±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.2±3.0 kJ/mol
Flash Point: 143.1±13.2 °C
Index of Refraction: 1.514
Molar Refractivity: 67.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 3015.64
ACD/KOC (pH 5.5): 10762.36
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2635.43
ACD/KOC (pH 7.4): 9405.45
Polar Surface Area: 47 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 224.8±3.0 cm3

Click to predict properties on the Chemicalize site


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