- InChI
- InChI=1S/C6H9N3O2/c1-2-11-6(10)4-3-8-9-5(4)7/h3H,2H2,1H3,(H3,7,8,9)
- InChI Key
- YPXGHKWOJXQLQU-UHFFFAOYSA-N
- Formula
- C6H9N3O2
- SMILES
- CCOC(=O)c1c[nH]nc1N
- Molecular Weight1
- 155.15
- CAS
- 6994-25-8
- Other Names
-
- 3-Amino-4-ethoxycarbonylpyrazole
- Ethyl 3-amino-4-pyrazolecarboxylate
- Ethyl 3-aminopyrazole-4-carboxylate
- 1H-Pyrazole-4-carboxylic acid, 3-amino-, ethyl ester
- ethyl 3-amino-1H-pyrazole-4-carboxylate
- ω : Acentric Factor.
- 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 | 0.6238 | Relay (1.0) Calculated Property | |
| ΔfG° | -27.79 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -271.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 79.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.313 | Crippen Calculated Property | |
| McVol | 113.320 | ml/mol | McGowan Calculated Property |
| Pc | 3453.95 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 580.94 | K | Relay (1.0) Calculated Property |
| Tc | 798.46 | K | Relay (1.0) Calculated Property |
| Tfus | 459.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.423 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Amino-4-carbethoxypyrazole.
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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