ChemSpider 2D Image | Propyl 4-hydroxy(~2~H_4_)benzoate | C10H8D4O3

Propyl 4-hydroxy(2H4)benzoate

  • Molecular FormulaC10H8D4O3
  • Average mass184.225 Da
  • Monoisotopic mass184.103745 Da
  • ChemSpider ID24533745
  • Non-standard isotope - Non-standard isotope


More details:






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

4-Hydroxy(2H4)benzoate de propyle [French] [ACD/IUPAC Name]
Benzoic-2,3,5,6-d4 acid, 4-hydroxy-, propyl ester [ACD/Index Name]
Propyl 4-hydroxy(2H4)benzoate [ACD/IUPAC Name]
Propyl-4-hydroxy(2H4)benzoat [German] [ACD/IUPAC Name]
1219802-67-1 [RN]
4-hydroxybenzoic acid propyl ester
94-13-3 [RN]
MFCD00002354 [MDL number]
n-Propyl 4-Hydroxybenzoate-2,3,5,6-d4
propyl 2,3,5,6-tetradeuterio-4-hydroxy-benzoate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 294.3±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 55.5±3.0 kJ/mol
Flash Point: 124.6±12.6 °C
Index of Refraction: 1.532
Molar Refractivity: 49.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.77
ACD/KOC (pH 5.5): 869.83
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 78.29
ACD/KOC (pH 7.4): 758.62
Polar Surface Area: 47 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 158.8±3.0 cm3

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