- InChI
- InChI=1S/C6H8N2O2/c1-2-10-6(9)5-3-7-8-4-5/h3-4H,2H2,1H3,(H,7,8)
- InChI Key
- KACZQOKEFKFNDB-UHFFFAOYSA-N
- Formula
- C6H8N2O2
- SMILES
- CCOC(=O)c1cn[nH]c1
- Molecular Weight1
- 140.14
- CAS
- 37622-90-5
- Other Names
-
- Ethyl 1H-pyrazole-4-carboxylate
- Pyrazole-4-carboxylic acid, ethyl ester
- 1H-Pyrazole-4-carboxylic acid, ethyl ester
- 4-(C2H5COO)-pyrazole
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5155 | Relay (1.0) Calculated Property | |
| PAff | 880.70 | kJ/mol | NIST |
| BasG | 846.50 | kJ/mol | NIST |
| ΔfG° | -80.19 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -239.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 70.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.104 | Crippen Calculated Property | |
| McVol | 103.340 | ml/mol | McGowan Calculated Property |
| Pc | 3854.95 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 542.63 | K | Relay (1.0) Calculated Property |
| Tc | 746.56 | K | Relay (1.0) Calculated Property |
| Tfus | 394.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.392 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 4-pyrazolecarboxylate.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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