Found 6 results

Search term: QFOHBWFCKVYLES (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Butyl 4-(~2~H)hydroxybenzoate | C11H13DO3

Butyl 4-(2H)hydroxybenzoate

  • Molecular FormulaC11H13DO3
  • Average mass195.233 Da
  • Monoisotopic mass195.100571 Da
  • ChemSpider ID95746188

  • Non-standard isotope - Non-standard isotope

More details:

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

4-(2H)Hydroxybenzoate de butyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(hydroxy-d)-, butyl ester [ACD/Index Name]
Butyl 4-(2H)hydroxybenzoate [ACD/IUPAC Name]
Butyl-4-(2H)hydroxybenzoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 309.2±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.2±3.0 kJ/mol
Flash Point: 129.2±13.2 °C
Index of Refraction: 1.526
Molar Refractivity: 53.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 154.17
ACD/KOC (pH 5.5): 1281.00
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 134.12
ACD/KOC (pH 7.4): 1114.37
Polar Surface Area: 47 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 175.3±3.0 cm3

Click to predict properties on the Chemicalize site


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