ChemSpider 2D Image | Methyl 4-iodo-2-butenoate | C5H7IO2

Methyl 4-iodo-2-butenoate

  • Molecular FormulaC5H7IO2
  • Average mass226.012 Da
  • Monoisotopic mass225.949066 Da
  • ChemSpider ID57560409

More details:

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

2-Butenoic acid, 4-iodo-, methyl ester [ACD/Index Name]
4-Iodo-2-buténoate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-iodo-2-butenoate [ACD/IUPAC Name]
Methyl-4-iod-2-butenoat [German] [ACD/IUPAC Name]
59425-00-2 [RN]
65495-78-5 [RN]
Methyl 4-iodobut-2-enoate
methyl trans-??-iodocrotonate

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

Density: 1.8±0.1 g/cm3
Boiling Point: 200.8±23.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.7±3.0 kJ/mol
Flash Point: 75.3±22.6 °C
Index of Refraction: 1.543
Molar Refractivity: 40.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 16.83
ACD/KOC (pH 5.5): 262.61
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 16.83
ACD/KOC (pH 7.4): 262.61
Polar Surface Area: 26 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 127.0±3.0 cm3

Click to predict properties on the Chemicalize site


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