ChemSpider 2D Image | (2Z,4Z)-2,4-Hexadienoic acid | C6H8O2

(2Z,4Z)-2,4-Hexadienoic acid

  • Molecular FormulaC6H8O2
  • Average mass112.127 Da
  • Monoisotopic mass112.052429 Da
  • ChemSpider ID21428618

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z,4Z)-2,4-Hexadienoic acid [ACD/IUPAC Name]
(2Z,4Z)-2,4-Hexadiensäure [German] [ACD/IUPAC Name]
(2Z,4Z)-hexa-2,4-dienoic acid
2,4-Hexadienoic acid, (2Z,4Z)- [ACD/Index Name]
Acide (2Z,4Z)-2,4-hexadiénoïque [French] [ACD/IUPAC Name]
(Z,Z)-sorbic acid
1720451 [Beilstein]
5309-56-8 [RN]
cis,cis-sorbic acid

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

Density: 1.0±0.1 g/cm3
Boiling Point: 233.0±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 51.7±6.0 kJ/mol
Flash Point: 139.9±9.6 °C
Index of Refraction: 1.488
Molar Refractivity: 31.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.35
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.00
ACD/LogD (pH 7.4): -1.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 12.5±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 109.4±3.0 cm3

Click to predict properties on the Chemicalize site


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