ChemSpider 2D Image | (1S,3S)-2,2-Dimethyl-1,3-cyclopentanedicarboxylic acid | C9H14O4

(1S,3S)-2,2-Dimethyl-1,3-cyclopentanedicarboxylic acid

  • Molecular FormulaC9H14O4
  • Average mass186.205 Da
  • Monoisotopic mass186.089203 Da
  • ChemSpider ID61692785

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,3S)-2,2-Dimethyl-1,3-cyclopentandicarbonsäure [German] [ACD/IUPAC Name]
(1S,3S)-2,2-Dimethyl-1,3-cyclopentanedicarboxylic acid [ACD/IUPAC Name]
1,3-Cyclopentanedicarboxylic acid, 2,2-dimethyl-, (1S,3S)- [ACD/Index Name]
Acide (1S,3S)-2,2-diméthyl-1,3-cyclopentanedicarboxylique [French] [ACD/IUPAC Name]
889469-36-7 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 313.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 61.0±6.0 kJ/mol
Flash Point: 157.5±19.7 °C
Index of Refraction: 1.500
Molar Refractivity: 44.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.51
ACD/LogD (pH 7.4): -3.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 151.6±3.0 cm3

Click to predict properties on the Chemicalize site


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