ChemSpider 2D Image | 2-(~2~H_3_)Methyl(~2~H_6_)propyl 4-hydroxybenzoate | C11H5D9O3

2-(2H3)Methyl(2H6)propyl 4-hydroxybenzoate

  • Molecular FormulaC11H5D9O3
  • Average mass203.283 Da
  • Monoisotopic mass203.150787 Da
  • ChemSpider ID28562391

  • Non-standard isotope - Non-standard isotope

More details:

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

2-(2H3)Methyl(2H6)propyl 4-hydroxybenzoate [ACD/IUPAC Name]
2-(2H3)Methyl(2H6)propyl-4-hydroxybenzoat [German] [ACD/IUPAC Name]
4-Hydroxybenzoate de 2-(2H3)méthyl(2H6)propyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-hydroxy-, 2-(methyl-d3)propyl-1,1,2,3,3,3-d6 ester [ACD/Index Name]
[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl] 4-hydroxybenzoate
1215460-35-7 [RN]
4247-02-3 [RN]
ISOBUTYL-D9 PARABEN

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

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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