ChemSpider 2D Image | (1R,2R)-2-(4-Pentylbenzoyl)cyclopentanecarboxylic acid | C18H24O3

(1R,2R)-2-(4-Pentylbenzoyl)cyclopentanecarboxylic acid

  • Molecular FormulaC18H24O3
  • Average mass288.381 Da
  • Monoisotopic mass288.172546 Da
  • ChemSpider ID21396908

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2R)-2-(4-Pentylbenzoyl)cyclopentancarbonsäure [German] [ACD/IUPAC Name]
(1R,2R)-2-(4-Pentylbenzoyl)cyclopentanecarboxylic acid [ACD/IUPAC Name]
Acide (1R,2R)-2-(4-pentylbenzoyl)cyclopentanecarboxylique [French] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 2-(4-pentylbenzoyl)-, (1R,2R)- [ACD/Index Name]
(1R,2R)-2-(4-pentylbenzoyl)cyclopentane-1-carboxylic acid
733741-10-1 [RN]
MFCD01311237 [MDL number]
trans-2-(4-n-pentylbenzoyl)cyclopentane-1-carboxylic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 463.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 248.4±25.2 °C
Index of Refraction: 1.545
Molar Refractivity: 82.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 106.85
ACD/KOC (pH 5.5): 451.52
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 1.73
ACD/KOC (pH 7.4): 7.30
Polar Surface Area: 54 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 260.3±3.0 cm3

Click to predict properties on the Chemicalize site


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