- InChI
- InChI=1S/C11H10N2O2/c1-8-10(11(14)15)7-12-13(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)
- InChI Key
- USSMIQWDLWJQDQ-UHFFFAOYSA-N
- Formula
- C11H10N2O2
- SMILES
- Cc1c(C(=O)O)cnn1-c1ccccc1
- Molecular Weight1
- 202.21
- CAS
- 91138-00-0
- 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 | 0.7628 | Relay (1.0) Calculated Property | |
| ΔfG° | 31.81 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -110.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 105.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.879 | Crippen Calculated Property | |
| McVol | 150.030 | ml/mol | McGowan Calculated Property |
| Pc | 4326.87 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 616.55 | K | Relay (1.0) Calculated Property |
| Tc | 928.33 | K | Relay (1.0) Calculated Property |
| Tfus | 474.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.555 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-Methyl-1-phenylpyrazole-4-carboxylic acid.
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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