ChemSpider 2D Image | 5-[5-(Chlorosulfonyl)-1-methyl-1H-1,2,3-triazol-4-yl]-4-pentynoic acid | C8H8ClN3O4S

5-[5-(Chlorosulfonyl)-1-methyl-1H-1,2,3-triazol-4-yl]-4-pentynoic acid

  • Molecular FormulaC8H8ClN3O4S
  • Average mass277.685 Da
  • Monoisotopic mass276.992401 Da
  • ChemSpider ID83503774

More details:

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

4-Pentynoic acid, 5-[5-(chlorosulfonyl)-1-methyl-1H-1,2,3-triazol-4-yl]- [ACD/Index Name]
5-[5-(Chlorosulfonyl)-1-methyl-1H-1,2,3-triazol-4-yl]-4-pentynoic acid [ACD/IUPAC Name]
5-[5-(Chlorsulfonyl)-1-methyl-1H-1,2,3-triazol-4-yl]-4-pentinsäure [German] [ACD/IUPAC Name]
Acide 5-[5-(chlorosulfonyl)-1-méthyl-1H-1,2,3-triazol-4-yl]-4-pentynoïque [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: 535.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 277.9±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 62.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.09
ACD/LogD (pH 5.5): -0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.62
ACD/LogD (pH 7.4): -2.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 111 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 62.3±7.0 dyne/cm
Molar Volume: 176.5±7.0 cm3

Click to predict properties on the Chemicalize site


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