ChemSpider 2D Image | Ethyl 5-iodo-1-(3-pentanyl)-1H-pyrazole-4-carboxylate | C11H17IN2O2

Ethyl 5-iodo-1-(3-pentanyl)-1H-pyrazole-4-carboxylate

  • Molecular FormulaC11H17IN2O2
  • Average mass336.169 Da
  • Monoisotopic mass336.033478 Da
  • ChemSpider ID38776139

More details:

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

1H-Pyrazole-4-carboxylic acid, 1-(1-ethylpropyl)-5-iodo-, ethyl ester [ACD/Index Name]
5-Iodo-1-(3-pentanyl)-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-iodo-1-(3-pentanyl)-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-5-iod-1-(3-pentanyl)-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
1-(1-Ethyl-propyl)-5-iodo-1H-pyrazole-4-carboxylic acid ethyl ester
MFCD29048053

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

Density: 1.6±0.1 g/cm3
Boiling Point: 351.6±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.6±3.0 kJ/mol
Flash Point: 166.4±22.3 °C
Index of Refraction: 1.583
Molar Refractivity: 72.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 379.57
ACD/KOC (pH 5.5): 2442.64
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 379.57
ACD/KOC (pH 7.4): 2442.64
Polar Surface Area: 44 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 40.4±7.0 dyne/cm
Molar Volume: 215.5±7.0 cm3

Click to predict properties on the Chemicalize site


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