Chemical Properties of 3(5)-phenyl-5(3)-ethoxycarbonylpyrazole

3(5)-phenyl-5(3)-ethoxycarbonylpyrazole

InChI
InChI=1S/C12H12N2O2/c1-2-16-12(15)11-8-10(13-14-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14)
InChI Key
AZZHJDRWBMQEKD-UHFFFAOYSA-N
Formula
C12H12N2O2
SMILES
CCOC(=O)c1cc(-c2ccccc2)n[nH]1
Molecular Weight1
216.24
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Physical Properties

Property Value Unit Source
ω 0.6170 Relay (1.0) Calculated Property
PAff 899.70 kJ/mol NIST
BasG 867.80 kJ/mol NIST
ΔfH°gas -145.62 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 91.48 kJ/mol Relay (1.0) Calculated Property
IE 8.59 eV Relay (1.0) Calculated Property
log10WS -3.25 Relay (1.0) Calculated Property
logPoct/wat 1.771 Crippen Calculated Property
McVol 164.120 ml/mol McGowan Calculated Property
Pc 3013.40 kPa Relay (1.0-beta) Calculated Property
Tboil 625.21 K Relay (1.0) Calculated Property
Tc 875.53 K Relay (1.0) Calculated Property
Tfus 395.49 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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.

Similar Compounds

1-Tetrahydrocannabinol, 6«alpha»-hydroxy, allyl-DMS. 1-Tetrahydrocannabinol, 6.alpha.-hydroxy, TBDMS. 1-Tetrahydrocannabinol, 6«alpha»-hydroxy, TMS. Carteolol hydroxy, acetylated. 4',5'-Diiodofluorescein. Carteolol, acetylated. L-Tryptophan, N,1-bis(tert-butyldimethylsilyl)-, tert-butyldimethylsilyl ester. Tryptophan, N-acetyl-5-methoxy, TMS. Polythiazide. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. Leu-Trp, N-trimethylsilyl-, trimethylsilyl ester. 9H-Purin-2-amine, N-(trimethylsilyl)-6-[(trimethylsilyl)oxy]-9-[2,3,5-tris-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-. Bicyclohexyl-1,1'-diol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. guanosine-2'(3')-monophosphate, TMS. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-.

Find more compounds similar to 3(5)-phenyl-5(3)-ethoxycarbonylpyrazole.

Sources

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