ChemSpider 2D Image | 4-(Phenyl-d5)-3-buten-2-one | C10H5D5O

4-(Phenyl-d5)-3-buten-2-one

  • Molecular FormulaC10H5D5O
  • Average mass151.217 Da
  • Monoisotopic mass151.104553 Da
  • ChemSpider ID23937000

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(3E)-4-(2H5)Phenyl-3-buten-2-on [German] [ACD/IUPAC Name]
(3E)-4-(2H5)Phenyl-3-buten-2-one [ACD/IUPAC Name]
(3E)-4-(2H5)Phényl-3-butén-2-one [French] [ACD/IUPAC Name]
3-Buten-2-one, 4-(phenyl-d5)-, (3E)- [ACD/Index Name]
4-(Phenyl-d5)-3-buten-2-one
56187-93-0 [RN]
(E)-4-(2,3,4,5,6-pentadeuteriophenyl)but-3-en-2-one
61764-84-9 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 260.8±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.8±3.0 kJ/mol
Flash Point: 65.6±0.0 °C
Index of Refraction: 1.563
Molar Refractivity: 46.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 25.88
ACD/KOC (pH 5.5): 357.32
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 25.88
ACD/KOC (pH 7.4): 357.32
Polar Surface Area: 17 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 144.0±3.0 cm3

Click to predict properties on the Chemicalize site


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