ChemSpider 2D Image | Diethyl 5-chloro-1-methyl-1H-pyrazole-3,4-dicarboxylate | C10H13ClN2O4

Diethyl 5-chloro-1-methyl-1H-pyrazole-3,4-dicarboxylate

  • Molecular FormulaC10H13ClN2O4
  • Average mass260.674 Da
  • Monoisotopic mass260.056396 Da
  • ChemSpider ID30647566

More details:

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

111493-84-6 [RN]
1H-Pyrazole-3,4-dicarboxylic acid, 5-chloro-1-methyl-, diethyl ester [ACD/Index Name]
5-Chloro-1-méthyl-1H-pyrazole-3,4-dicarboxylate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 5-chloro-1-methyl-1H-pyrazole-3,4-dicarboxylate [ACD/IUPAC Name]
Diethyl-5-chlor-1-methyl-1H-pyrazol-3,4-dicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 333.8±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.7±3.0 kJ/mol
Flash Point: 155.7±26.5 °C
Index of Refraction: 1.545
Molar Refractivity: 61.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.70
ACD/KOC (pH 5.5): 293.90
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.70
ACD/KOC (pH 7.4): 293.90
Polar Surface Area: 70 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 41.8±7.0 dyne/cm
Molar Volume: 194.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement