ChemSpider 2D Image | (2S)-3-(4-Methylphenoxy)-1,2-propanediol | C10H14O3

(2S)-3-(4-Methylphenoxy)-1,2-propanediol

  • Molecular FormulaC10H14O3
  • Average mass182.216 Da
  • Monoisotopic mass182.094299 Da
  • ChemSpider ID30653209

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-(4-Methylphenoxy)-1,2-propandiol [German] [ACD/IUPAC Name]
(2S)-3-(4-Methylphenoxy)-1,2-propanediol [ACD/IUPAC Name]
(2S)-3-(4-Méthylphénoxy)-1,2-propanediol [French] [ACD/IUPAC Name]
1,2-Propanediol, 3-(4-methylphenoxy)-, (2S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 351.9±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.0±3.0 kJ/mol
Flash Point: 166.6±23.7 °C
Index of Refraction: 1.546
Molar Refractivity: 50.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.21
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 3.79
ACD/KOC (pH 5.5): 90.38
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.79
ACD/KOC (pH 7.4): 90.38
Polar Surface Area: 50 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 158.1±3.0 cm3

Click to predict properties on the Chemicalize site


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