- InChI
- InChI=1S/C7H10N2O2/c1-3-11-7(10)6-4-5(2)8-9-6/h4H,3H2,1-2H3,(H,8,9)
- InChI Key
- BOTXQJAHRCGJEG-UHFFFAOYSA-N
- Formula
- C7H10N2O2
- SMILES
- CCOC(=O)c1cc(C)[nH]n1
- Molecular Weight1
- 154.17
- CAS
- 4027-57-0
- Other Names
-
- 3(5)-Methyl-5(3)-ethoxycarbonylpyrazole
- 3-Ethoxycarbonyl-5-methylpyrazole
- ethyl 5-methyl-1H-pyrazole-3-carboxylate
- 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 | 0.5578 | Relay (1.0) Calculated Property | |
| PAff | 902.60 | kJ/mol | NIST |
| BasG | 870.80 | kJ/mol | NIST |
| ΔfG° | -72.67 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -273.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 71.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.413 | Crippen Calculated Property | |
| McVol | 117.430 | ml/mol | McGowan Calculated Property |
| Pc | 3374.76 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 541.01 | K | Relay (1.0) Calculated Property |
| Tc | 738.63 | K | Relay (1.0) Calculated Property |
| Tfus | 388.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.454 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Pyrazole-3-carboxylic acid, 5-methyl-, ethyl ester.
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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