ChemSpider 2D Image | Isobutyl 4-hydroxy(~2~H_4_)benzoate | C11H10D4O3

Isobutyl 4-hydroxy(2H4)benzoate

  • Molecular FormulaC11H10D4O3
  • Average mass198.252 Da
  • Monoisotopic mass198.119400 Da
  • ChemSpider ID24533828

  • Non-standard isotope - Non-standard isotope

More details:

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

4-Hydroxy(2H4)benzoate d'isobutyle [French] [ACD/IUPAC Name]
Benzoic-2,3,5,6-d4 acid, 4-hydroxy-, 2-methylpropyl ester [ACD/Index Name]
Isobutyl 4-hydroxy(2H4)benzoate [ACD/IUPAC Name]
Isobutyl-4-hydroxy(2H4)benzoat [German] [ACD/IUPAC Name]
1219805-33-0 [RN]
2-methylpropyl 2,3,5,6-tetradeuterio-4-hydroxybenzoate
4-Hydroxybenzoic acid-isobutyl ester D4 (ring D4)
iso-Butyl 4-Hydroxybenzoate-2,3,5,6-d4
iso-Butylparaben
Isobutylparaben [Wiki]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 302.3±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.4±3.0 kJ/mol
Flash Point: 125.4±13.2 °C
Index of Refraction: 1.524
Molar Refractivity: 53.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 139.27
ACD/KOC (pH 5.5): 1191.00
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 119.49
ACD/KOC (pH 7.4): 1021.89
Polar Surface Area: 47 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 175.7±3.0 cm3

Click to predict properties on the Chemicalize site


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