ChemSpider 2D Image | 4-[(3-Chlorotetradecyl)oxy]benzoic acid | C21H33ClO3

4-[(3-Chlorotetradecyl)oxy]benzoic acid

  • Molecular FormulaC21H33ClO3
  • Average mass368.938 Da
  • Monoisotopic mass368.211823 Da
  • ChemSpider ID34253538

More details:

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

4-[(3-Chlorotetradecyl)oxy]benzoic acid [ACD/IUPAC Name]
4-[(3-Chlortetradecyl)oxy]benzoesäure [German] [ACD/IUPAC Name]
Acide 4-[(3-chlorotétradécyl)oxy]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(3-chlorotetradecyl)oxy]- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 493.3±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 252.1±21.8 °C
Index of Refraction: 1.507
Molar Refractivity: 104.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 8.52
ACD/LogD (pH 5.5): 7.89
ACD/BCF (pH 5.5): 317512.59
ACD/KOC (pH 5.5): 148265.00
ACD/LogD (pH 7.4): 6.23
ACD/BCF (pH 7.4): 7049.90
ACD/KOC (pH 7.4): 3292.01
Polar Surface Area: 47 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 352.3±3.0 cm3

Click to predict properties on the Chemicalize site


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