- InChI
- InChI=1S/C7H7NO2/c1-5-2-3-6(4-8-5)7(9)10/h2-4H,1H3,(H,9,10)
- InChI Key
- RZOKQIPOABEQAM-UHFFFAOYSA-N
- Formula
- C7H7NO2
- SMILES
- Cc1ccc(C(=O)O)cn1
- Molecular Weight1
- 137.14
- CAS
- 3222-47-7
- 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 | 0.6684 | Relay (1.0) Calculated Property | |
| ΔfG° | -152.66 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -292.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 85.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.088 | Crippen Calculated Property | |
| McVol | 103.150 | ml/mol | McGowan Calculated Property |
| Pc | 4610.57 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 534.57 | K | Relay (1.0) Calculated Property |
| Tc | 789.97 | K | Relay (1.0) Calculated Property |
| Tfus | 466.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.369 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 6-Methylnicotinic 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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