ChemSpider 2D Image | (1S,2R)-2-(4-tert-Butylphenyl)cyclopropanecarboxylic acid | C14H18O2

(1S,2R)-2-(4-tert-Butylphenyl)cyclopropanecarboxylic acid

  • Molecular FormulaC14H18O2
  • Average mass218.292 Da
  • Monoisotopic mass218.130676 Da
  • ChemSpider ID23366292

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1S,2R)-2-(4-tert-Butylphenyl)cyclopropanecarboxylic acid
(1S,2R)-2-[4-(2-Methyl-2-propanyl)phenyl]cyclopropancarbonsäure [German] [ACD/IUPAC Name]
(1S,2R)-2-[4-(2-Methyl-2-propanyl)phenyl]cyclopropanecarboxylic acid [ACD/IUPAC Name]
Acide (1S,2R)-2-[4-(2-méthyl-2-propanyl)phényl]cyclopropanecarboxylique [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 2-[4-(1,1-dimethylethyl)phenyl]-, (1S,2R)- [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: 356.4±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.5±3.0 kJ/mol
Flash Point: 167.9±19.5 °C
Index of Refraction: 1.552
Molar Refractivity: 62.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 34.77
ACD/KOC (pH 5.5): 236.93
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.72
Polar Surface Area: 37 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 196.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement