ChemSpider 2D Image | Ethyl 5-(methoxymethyl)-1-methyl-1H-1,2,4-triazole-3-carboxylate | C8H13N3O3

Ethyl 5-(methoxymethyl)-1-methyl-1H-1,2,4-triazole-3-carboxylate

  • Molecular FormulaC8H13N3O3
  • Average mass199.207 Da
  • Monoisotopic mass199.095688 Da
  • ChemSpider ID43368718

More details:

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

1341152-81-5 [RN]
1H-1,2,4-Triazole-3-carboxylic acid, 5-(methoxymethyl)-1-methyl-, ethyl ester [ACD/Index Name]
5-(Méthoxyméthyl)-1-méthyl-1H-1,2,4-triazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-(methoxymethyl)-1-methyl-1H-1,2,4-triazole-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-(methoxymethyl)-1-methyl-1H-1,2,4-triazol-3-carboxylat [German] [ACD/IUPAC Name]
MFCD18344474

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

Density: 1.2±0.1 g/cm3
Boiling Point: 325.4±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.7±3.0 kJ/mol
Flash Point: 150.6±28.4 °C
Index of Refraction: 1.534
Molar Refractivity: 50.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.08
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.58
ACD/KOC (pH 5.5): 48.22
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.58
ACD/KOC (pH 7.4): 48.22
Polar Surface Area: 66 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 39.7±7.0 dyne/cm
Molar Volume: 160.7±7.0 cm3

Click to predict properties on the Chemicalize site


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