Chemical Properties of 4-(2-Methoxycarbonyl-ethyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester

4-(2-Methoxycarbonyl-ethyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester

InChI
InChI=1S/C9H14N2O4/c1-14-7(12)4-3-6-5-10-11-8(6)9(13)15-2/h6,10H,3-5H2,1-2H3
InChI Key
XKZJHNIBPKFLQK-UHFFFAOYSA-N
Formula
C9H14N2O4
SMILES
COC(=O)CCC1CNN=C1C(=O)OC
Molecular Weight1
214.22
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Physical Properties

Property Value Unit Source
ΔfusH° 37.30 kJ/mol Joback Calculated Property
logPoct/wat -0.312 Crippen Calculated Property
McVol 157.350 ml/mol McGowan Calculated Property
Inp 1720.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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 [229.47; 534.68] 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 A3.09620e+01
Coefficient B7.85520e-01
Coefficient C-1.88400e-04
Coefficient D-9.34000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 229.47 J/mol×K 273.00 Calculated Property
Cp,gas 281.15 J/mol×K 353.78 Calculated Property
Cp,gas 329.07 J/mol×K 434.56 Calculated Property
Cp,gas 372.95 J/mol×K 515.33 Calculated Property
Cp,gas 412.49 J/mol×K 596.11 Calculated Property
Cp,gas 447.38 J/mol×K 676.89 Calculated Property
Cp,gas 477.35 J/mol×K 757.67 Calculated Property
Cp,gas 502.08 J/mol×K 838.44 Calculated Property
Cp,gas 521.29 J/mol×K 919.22 Calculated Property
Cp,gas 534.68 J/mol×K 1000.00 Calculated Property

Similar Compounds

4-(3-Methoxycarbonyl-propyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester. 4-(4-Methoxycarbonyl-butyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester. 4-Methoxycarbonylmethyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester. 2(1H)-Pyrimidinone, 1-[2,3-bis-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-4-(trimethylsiloxy)-, 5'-[bis(trimethylsilyl) phosphate]. Triamcinolone, 11-keto, MO TMS. Quinine, trimethylsilyl ether. Yohimbine. azadirachtin. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 2. Cytosine arabinoside, dimethyl-allyldimethylsilyl derivative. Glyceollin III, TMS. Ibogaine. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 1. 5,6-Dihydrouracil riboside, TMS. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate.

Find more compounds similar to 4-(2-Methoxycarbonyl-ethyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester.

Sources

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