ChemSpider 2D Image | 1-(3-Chloro-2-methylphenyl)-1-butanol | C11H15ClO

1-(3-Chloro-2-methylphenyl)-1-butanol

  • Molecular FormulaC11H15ClO
  • Average mass198.689 Da
  • Monoisotopic mass198.081146 Da
  • ChemSpider ID32926754

More details:

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

1-(3-Chlor-2-methylphenyl)-1-butanol [German] [ACD/IUPAC Name]
1-(3-Chloro-2-methylphenyl)-1-butanol [ACD/IUPAC Name]
1-(3-Chloro-2-méthylphényl)-1-butanol [French] [ACD/IUPAC Name]
Benzenemethanol, 3-chloro-2-methyl-α-propyl- [ACD/Index Name]
1-(3-Chloro-2-methylphenyl)butan-1-ol
1314969-64-6 [RN]
atoms 13 bonds 13
MFCD11521109

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

Density: 1.1±0.1 g/cm3
Boiling Point: 286.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 55.5±3.0 kJ/mol
Flash Point: 126.9±23.2 °C
Index of Refraction: 1.532
Molar Refractivity: 56.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 175.61
ACD/KOC (pH 5.5): 1406.90
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 175.61
ACD/KOC (pH 7.4): 1406.90
Polar Surface Area: 20 Å2
Polarizability: 22.3±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 181.7±3.0 cm3

Click to predict properties on the Chemicalize site


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