ChemSpider 2D Image | MFCD01075426 | C9HD9O2

MFCD01075426

  • Molecular FormulaC9HD9O2
  • Average mass159.230 Da
  • Monoisotopic mass159.124573 Da
  • ChemSpider ID24532095

  • Non-standard isotope - Non-standard isotope

More details:

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

207-924-5 [EINECS]
3-(2H5)Phenyl(2H4)propanoic acid [ACD/IUPAC Name]
3-(2H5)Phenyl(2H4)propansäure [German] [ACD/IUPAC Name]
3-Phenylpropionic-d9 acid
Acide 3-(2H5)phényl(2H4)propanoïque [French] [ACD/IUPAC Name]
Benzene-2,3,4,5,6-d5-propanoic-d4 acid [ACD/Index Name]
HYDROCINNAMIC ACID-D9,OH
MFCD01075426
3-Phenylpropionic Acid
3-Phenypropionic Acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

DA8600000 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 280.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.8±3.0 kJ/mol
Flash Point: 170.0±13.9 °C
Index of Refraction: 1.542
Molar Refractivity: 42.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 2.38
ACD/KOC (pH 5.5): 35.85
ACD/LogD (pH 7.4): -0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 16.6±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 133.4±3.0 cm3

Click to predict properties on the Chemicalize site


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