Chemical Properties of 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-phenyl-, ethyl ester (CAS 89-33-8)

1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-phenyl-, ethyl ester

InChI
InChI=1S/C12H12N2O3/c1-2-17-12(16)10-8-11(15)14(13-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI Key
WBFXQKNQVZMOSQ-UHFFFAOYSA-N
Formula
C12H12N2O3
SMILES
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1
Molecular Weight1
232.24
CAS
89-33-8
Other Names
  • 1-Phenyl-3-carbethoxypyrazolone
  • 2-Pyrazoline-3-carboxylic acid, 5-oxo-1-phenyl-, ethyl ester
  • 3-(Ethoxycarbonyl)-1-phenyl-5-pyrazolone
  • 1-Phenyl-5-oxo-2-pyrazoline-3-carboxylic acid, ethyl ester
  • ethyl 5-oxo-1-phenyl-2-pyrazoline-3-carboxylate
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.6385 Relay (1.0) Calculated Property
ΔfH°gas -208.89 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 83.81 kJ/mol Relay (1.0) Calculated Property
IE 7.99 eV Relay (1.0) Calculated Property
log10WS -2.85 Relay (1.0) Calculated Property
logPoct/wat 1.342 Crippen Calculated Property
McVol 169.990 ml/mol McGowan Calculated Property
Pc 2555.82 kPa Relay (1.0-beta) Calculated Property
Tboil 610.13 K Relay (1.0) Calculated Property
Tc 860.46 K Relay (1.0) Calculated Property
Tfus 380.51 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-(3-Chlorophenyl)-3-methyl-5-pyrazolone. 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-. Mefenpyr-diethyl. Suxibuzone. 3',5'-Diacetylthymidine. «delta»1-tetrahydrocannabinolic acid, TMS. propyl-«delta»1-tetrahydrocannabinolic acid, TMS. 2(1H)-Pyrimidinone, 1-[2,3-bis-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-4-(trimethylsiloxy)-, 5'-[bis(trimethylsilyl) phosphate]. Morazone. THYMIDINE, 3'-(O-TERT.-BUTYLDIMETHYLSILYL)-5'-ACETYL-. Uridine, 2',5'-bis-O-acetyl, 3'-O-TBDMS. LEVOPHACETOPERANE. N-Acetyl-D-glucosamine, tetrakis(trimethylsilyl) ether (isomer 2). N-Acetyl-D-glucosamine, tetrakis(trimethylsilyl) ether (isomer 1). Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2.

Find more compounds similar to 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-phenyl-, ethyl ester.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.