Chemical Properties of 3-n-Propyl-2-pyrazolin-5-one

3-n-Propyl-2-pyrazolin-5-one

InChI
InChI=1S/C6H10N2O/c1-2-3-5-4-6(9)8-7-5/h2-4H2,1H3,(H,8,9)
InChI Key
GVUNLYBSNQOHBD-UHFFFAOYSA-N
Formula
C6H10N2O
SMILES
CCCC1=NNC(=O)C1
Molecular Weight1
126.16
Other Names
  • 3-Propyl-2-pyrazolin-5-one
  • 3H-Pyrazol-3-one, 2,4-dihydro-5-propyl-
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Physical Properties

Property Value Unit Source
ΔfusH° 19.23 kJ/mol Joback Calculated Property
logPoct/wat 0.662 Crippen Calculated Property
McVol 101.770 ml/mol McGowan Calculated Property
Tfus 481.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [137.26; 356.16] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.33620e+01
Coefficient B4.68300e-01
Coefficient C-2.58000e-05
Coefficient D-9.97000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 137.26 J/mol×K 273.00 Calculated Property
Cp,gas 171.39 J/mol×K 353.78 Calculated Property
Cp,gas 203.81 J/mol×K 434.56 Calculated Property
Cp,gas 234.20 J/mol×K 515.33 Calculated Property
Cp,gas 262.23 J/mol×K 596.11 Calculated Property
Cp,gas 287.61 J/mol×K 676.89 Calculated Property
Cp,gas 310.00 J/mol×K 757.67 Calculated Property
Cp,gas 329.10 J/mol×K 838.44 Calculated Property
Cp,gas 344.60 J/mol×K 919.22 Calculated Property
Cp,gas 356.16 J/mol×K 1000.00 Calculated Property

Similar Compounds

2-Pyrazolin-5-one, 3-isobutyl-. 1-Methyl-3-n-propyl-2-pyrazolin-5-one. 3-tert-BUTYL-2-PYRAZOLIN-5-ONE. 2-Pyrazoline, 3-ethyl-5-methyl. Di-n-propyl ketone n-propylhydrazone. 2-Pyrazoline, 3-butyl-5,5-dimethyl, N-acetyl. 1H-Pyrazole, 3-ethyl-4,5-dihydro-. 3-Methyl-5-pyrazolone. 2-Pyrazoline, 3-butyl-5,5-dimethyl, 1-benzoyl. Glutarimide, 3-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-, semicarbazone. 4-(4-Methoxycarbonyl-butyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester. 4-(3-Methoxycarbonyl-propyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester. 4-(2-Methoxycarbonyl-ethyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester. 2-Pyrazoline, 3-ethyl-4-methyl. 2H-Pyrido[2,1-b]quinazolin-6-one, 1,3,4,6,7,8,9,10-octahydro-8-methyl.

Find more compounds similar to 3-n-Propyl-2-pyrazolin-5-one.

Sources

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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