ChemSpider 2D Image | (~2~H_11_)Pentyl 4-hydroxybenzoate | C12H5D11O3

(2H11)Pentyl 4-hydroxybenzoate

  • Molecular FormulaC12H5D11O3
  • Average mass219.321 Da
  • Monoisotopic mass219.178986 Da
  • ChemSpider ID48060572
  • Non-standard isotope - Non-standard isotope


More details:






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

(2H11)Pentyl 4-hydroxybenzoate [ACD/IUPAC Name]
(2H11)Pentyl-4-hydroxybenzoat [German] [ACD/IUPAC Name]
4-Hydroxybenzoate de (2H11)pentyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-hydroxy-, pentyl-d11 ester [ACD/Index Name]
1,1,2,2,3,3,4,4,5,5,5-undecadeuteriopentyl 4-hydroxybenzoate
1216496-15-9 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 324.1±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.9±3.0 kJ/mol
Flash Point: 133.8±13.2 °C
Index of Refraction: 1.521
Molar Refractivity: 58.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 356.09
ACD/KOC (pH 5.5): 2332.25
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 309.66
ACD/KOC (pH 7.4): 2028.16
Polar Surface Area: 47 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 191.8±3.0 cm3

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