ChemSpider 2D Image | (2E)-6-(Chlorosulfonyl)-2-hexen-4-ynoic acid | C6H5ClO4S

(2E)-6-(Chlorosulfonyl)-2-hexen-4-ynoic acid

  • Molecular FormulaC6H5ClO4S
  • Average mass208.620 Da
  • Monoisotopic mass207.959702 Da
  • ChemSpider ID96287944

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-6-(Chlorosulfonyl)-2-hexen-4-ynoic acid [ACD/IUPAC Name]
(2E)-6-(Chlorsulfonyl)-2-hexen-4-insäure [German] [ACD/IUPAC Name]
2-Hexen-4-ynoic acid, 6-(chlorosulfonyl)-, (2E)- [ACD/Index Name]
Acide (2E)-6-(chlorosulfonyl)-2-hexén-4-ynoïque [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 367.6±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 67.5±6.0 kJ/mol
Flash Point: 176.1±23.7 °C
Index of Refraction: 1.568
Molar Refractivity: 43.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): -0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.44
ACD/LogD (pH 7.4): -2.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 17.1±0.5 10-24cm3
Surface Tension: 69.4±3.0 dyne/cm
Molar Volume: 131.5±3.0 cm3

Click to predict properties on the Chemicalize site


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