ChemSpider 2D Image | OCTANE-1,3,5,7-TETRACARBOXYLIC ACID | C12H18O8

OCTANE-1,3,5,7-TETRACARBOXYLIC ACID

  • Molecular FormulaC12H18O8
  • Average mass290.267 Da
  • Monoisotopic mass290.100159 Da
  • ChemSpider ID25058023

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,5R,7S)-1,3,5,7-Octanetetracarboxylic acid [ACD/IUPAC Name]
(3R,5R,7S)-1,3,5,7-Octantetracarbonsäure [German] [ACD/IUPAC Name]
1,3,5,7-Octanetetracarboxylic acid, (3R,5R,7S)- [ACD/Index Name]
Acide (3R,5R,7S)-1,3,5,7-octanetétracarboxylique [French] [ACD/IUPAC Name]
OCTANE-1,3,5,7-TETRACARBOXYLIC ACID
(1S,3R,5R)-1-methylheptane-1,3,5,7-tetracarboxylic acid
PAY

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

Density: 1.4±0.1 g/cm3
Boiling Point: 492.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.1±6.0 kJ/mol
Flash Point: 265.6±25.2 °C
Index of Refraction: 1.531
Molar Refractivity: 63.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: -2.58
ACD/LogD (pH 5.5): -4.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 66.5±3.0 dyne/cm
Molar Volume: 206.2±3.0 cm3

Click to predict properties on the Chemicalize site


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