ChemSpider 2D Image | (2,2,3,3,3-~2~H_5_)Propyl 3,4,5-trihydroxybenzoate | C10H7D5O5

(2,2,3,3,3-2H5)Propyl 3,4,5-trihydroxybenzoate

  • Molecular FormulaC10H7D5O5
  • Average mass217.230 Da
  • Monoisotopic mass217.099854 Da
  • ChemSpider ID58798736

  • Non-standard isotope - Non-standard isotope

More details:

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

(2,2,3,3,3-2H5)Propyl 3,4,5-trihydroxybenzoate [ACD/IUPAC Name]
(2,2,3,3,3-2H5)Propyl-3,4,5-trihydroxybenzoat [German] [ACD/IUPAC Name]
3,4,5-Trihydroxybenzoate de (2,2,3,3,3-2H5)propyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trihydroxy-, propyl-2,2,3,3,3-d5 ester [ACD/Index Name]
121-79-9 [RN]
gallic acid propyl ester
MFCD00002196 [MDL number]
Propyl gallate
propyl gallate labeled d5

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

Density: 1.4±0.1 g/cm3
Boiling Point: 448.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 181.3±20.8 °C
Index of Refraction: 1.596
Molar Refractivity: 52.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.38
ACD/KOC (pH 5.5): 311.24
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 15.61
ACD/KOC (pH 7.4): 227.20
Polar Surface Area: 87 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 62.0±3.0 dyne/cm
Molar Volume: 155.6±3.0 cm3

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