ChemSpider 2D Image | 4-[(3R)-3-Hydroxy(1,1,2,2,4,4,4-~2~H_7_)butyl]phenol | C10H7D7O2

4-[(3R)-3-Hydroxy(1,1,2,2,4,4,4-2H7)butyl]phenol

  • Molecular FormulaC10H7D7O2
  • Average mass173.260 Da
  • Monoisotopic mass173.143311 Da
  • ChemSpider ID20573981

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

4-[(3R)-3-Hydroxy(1,1,2,2,4,4,4-2H7)butyl]phenol [ACD/IUPAC Name]
4-[(3R)-3-Hydroxy(1,1,2,2,4,4,4-2H7)butyl]phenol [German] [ACD/IUPAC Name]
4-[(3R)-3-Hydroxy(1,1,2,2,4,4,4-2H7)butyl]phénol [French] [ACD/IUPAC Name]
Benzenepropan-d4-ol, 4-hydroxy-α-(methyl-d3)-, (αR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 315.4±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.8±3.0 kJ/mol
Flash Point: 153.4±15.5 °C
Index of Refraction: 1.552
Molar Refractivity: 48.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 10.03
ACD/KOC (pH 5.5): 181.26
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 10.01
ACD/KOC (pH 7.4): 180.92
Polar Surface Area: 40 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 151.6±3.0 cm3

Click to predict properties on the Chemicalize site


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