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
ω 0.6407 Relay (1.0) Calculated Property
ΔfG° -181.57 kJ/mol Joback Calculated Property
ΔfH°gas -562.79 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 34.14 kJ/mol Joback Calculated Property
ΔvapH° 83.15 kJ/mol Relay (1.0) Calculated Property
IE 8.60 eV Relay (1.0) Calculated Property
log10WS -0.81 Relay (1.0) Calculated Property
logPoct/wat -0.312 Crippen Calculated Property
McVol 157.350 ml/mol McGowan Calculated Property
Pc 3217.33 kPa Joback Calculated Property
Inp 1720.00 NIST
Tboil 556.76 K Relay (1.0) Calculated Property
Tc 787.86 K Relay (1.0) Calculated Property
Tfus 357.28 K Relay (1.0) Calculated Property
Vc 0.564 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [442.08; 513.72] J/mol×K [679.57; 900.27] Show Hide
Cp,gas 442.08 J/mol×K 679.57 Joback Calculated Property
Cp,gas 456.48 J/mol×K 716.35 Joback Calculated Property
Cp,gas 469.93 J/mol×K 753.14 Joback Calculated Property
Cp,gas 482.42 J/mol×K 789.92 Joback Calculated Property
Cp,gas 493.90 J/mol×K 826.70 Joback Calculated Property
Cp,gas 504.34 J/mol×K 863.48 Joback Calculated Property
Cp,gas 513.72 J/mol×K 900.27 Joback 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. Bicyclohexyl-1,1'-diol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. xanthosine-5'-monophosphate, TMS. Cytosine arabinoside, dimethyl-allyldimethylsilyl derivative. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. Hydroxy-N-methylcytisine. 2'-Deoxyguanosine, tris(trimethylsilyl) deriv.. risperidone. Glyceollin III, TMS. 5,6-Dihydrouracil riboside, TMS.

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

Sources

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