ChemSpider 2D Image | (1S,3S)-cyclohexane-1,3-dicarboxylic acid | C8H12O4

(1S,3S)-cyclohexane-1,3-dicarboxylic acid

  • Molecular FormulaC8H12O4
  • Average mass172.178 Da
  • Monoisotopic mass172.073563 Da
  • ChemSpider ID28294896
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1S,3S)-1,3-Cyclohexandicarbonsäure [German] [ACD/IUPAC Name]
Acide (1S,3S)-1,3-cyclohexanedicarboxylique [French] [ACD/IUPAC Name]
(1S*,3S*)-Cyclohexane-1,3-dicarboxylic acid
(1S,3S)-1,3-Cyclohexanedicarboxylic acid [ACD/IUPAC Name]
(1S,3S)-cyclohexane-1,3-dicarboxylic acid
1,3-Cyclohexanedicarboxylic acid, (1S,3S)- [ACD/Index Name]
1610732-22-3 [RN]
21917-23-7 [RN]
2305-30-8 [RN]
2305-31-9 [RN]
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 332.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 63.2±6.0 kJ/mol
Flash Point: 169.0±19.7 °C
Index of Refraction: 1.521
Molar Refractivity: 39.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.46
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.29
ACD/LogD (pH 7.4): -3.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 131.0±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement