ChemSpider 2D Image | MFCD01074083 | C8H3D5O2

MFCD01074083

  • Molecular FormulaC8H3D5O2
  • Average mass141.179 Da
  • Monoisotopic mass141.083817 Da
  • ChemSpider ID24532841
  • Non-standard isotope - Non-standard isotope


More details:






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

(2H5)Phenylacetic acid [ACD/IUPAC Name]
(2H5)Phenylessigsäure [German] [ACD/IUPAC Name]
22705-26-6 [RN]
Acide (2H5)phénylacétique [French] [ACD/IUPAC Name]
Benzene-2,3,4,5,6-d5-acetic acid [ACD/Index Name]
MFCD01074083
Phenyl-d5-acetic Acid
104182-98-1 [RN]
Phenyl Acetate-d5

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

Density: 1.2±0.1 g/cm3
Boiling Point: 265.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 53.2±3.0 kJ/mol
Flash Point: 156.2±13.9 °C
Index of Refraction: 1.552
Molar Refractivity: 37.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.60
ACD/LogD (pH 7.4): -1.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 116.9±3.0 cm3

Click to predict properties on the Chemicalize site






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