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

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

InChI
InChI=1S/C11H18N2O4/c1-16-9(14)6-4-3-5-8-7-12-13-10(8)11(15)17-2/h8,12H,3-7H2,1-2H3
InChI Key
UQSAMDBHMYOZNC-UHFFFAOYSA-N
Formula
C11H18N2O4
SMILES
COC(=O)CCCCC1CNN=C1C(=O)OC
Molecular Weight1
242.27
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Physical Properties

Property Value Unit Source
ΔfusH° 42.48 kJ/mol Joback Calculated Property
ΔvapH° 89.83 kJ/mol Relay (1.0) Calculated Property
log10WS -1.63 Relay (1.0) Calculated Property
logPoct/wat 0.468 Crippen Calculated Property
McVol 185.530 ml/mol McGowan Calculated Property
Pc 2410.00 kPa Joback Calculated Property
Inp [1923.00; 1923.00]   Show Hide
Inp 1923.00 NIST
Inp 1923.00 NIST
Tboil 572.88 K Relay (1.0) Calculated Property
Tfus 344.74 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [271.89; 637.86] 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 A2.91440e+01
Coefficient B9.75520e-01
Coefficient C-2.97200e-04
Coefficient D-6.96000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 271.89 J/mol×K 273.00 Calculated Property
Cp,gas 333.98 J/mol×K 353.78 Calculated Property
Cp,gas 391.23 J/mol×K 434.56 Calculated Property
Cp,gas 443.41 J/mol×K 515.33 Calculated Property
Cp,gas 490.31 J/mol×K 596.11 Calculated Property
Cp,gas 531.71 J/mol×K 676.89 Calculated Property
Cp,gas 567.38 J/mol×K 757.67 Calculated Property
Cp,gas 597.11 J/mol×K 838.44 Calculated Property
Cp,gas 620.68 J/mol×K 919.22 Calculated Property
Cp,gas 637.86 J/mol×K 1000.00 Calculated Property

Similar Compounds

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. 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. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. 2'-Deoxyguanosine, tris(trimethylsilyl) deriv.. azadirachtin. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. Glyceollin V, TMS. Glyceollin III, TMS. mithramycin a. Yohimbine. 5,6-Dihydrouracil riboside, TMS.

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

Sources

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