ChemSpider 2D Image | 4-(4-Hydroxyphenyl)-2-(~2~H_7_)butanone | C10H5D7O2

4-(4-Hydroxyphenyl)-2-(2H7)butanone

  • Molecular FormulaC10H5D7O2
  • Average mass171.244 Da
  • Monoisotopic mass171.127670 Da
  • ChemSpider ID20573989
  • Non-standard isotope - Non-standard isotope


More details:






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

2-Butanone-1,1,1,3,3,4,4-d7, 4-(4-hydroxyphenyl)- [ACD/Index Name]
4-(4-Hydroxyphenyl)-2-(2H7)butanon [German] [ACD/IUPAC Name]
4-(4-Hydroxyphenyl)-2-(2H7)butanone [ACD/IUPAC Name]
4-(4-Hydroxyphényl)-2-(2H7)butanone [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 292.2±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 55.3±3.0 kJ/mol
Flash Point: 122.9±13.0 °C
Index of Refraction: 1.535
Molar Refractivity: 47.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 7.12
ACD/KOC (pH 5.5): 141.91
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 7.11
ACD/KOC (pH 7.4): 141.55
Polar Surface Area: 37 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 150.8±3.0 cm3

Click to predict properties on the Chemicalize site






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