ChemSpider 2D Image | [(S)-(2-Methylphenyl)(phenyl)methoxy]acetic acid | C16H16O3

[(S)-(2-Methylphenyl)(phenyl)methoxy]acetic acid

  • Molecular FormulaC16H16O3
  • Average mass256.296 Da
  • Monoisotopic mass256.109955 Da
  • ChemSpider ID32797735

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(S)-(2-Methylphenyl)(phenyl)methoxy]acetic acid [ACD/IUPAC Name]
[(S)-(2-Methylphenyl)(phenyl)methoxy]essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[(S)-(2-methylphenyl)phenylmethoxy]- [ACD/Index Name]
Acide [(S)-(2-méthylphényl)(phényl)méthoxy]acétique [French] [ACD/IUPAC 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: 426.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.8±3.0 kJ/mol
Flash Point: 158.2±19.4 °C
Index of Refraction: 1.578
Molar Refractivity: 73.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 2.44
ACD/KOC (pH 5.5): 15.32
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 47 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 219.9±3.0 cm3

Click to predict properties on the Chemicalize site


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