- InChI
- InChI=1S/C8H9NO3/c1-11-7-4-3-6(5-9-7)8(10)12-2/h3-5H,1-2H3
- InChI Key
- OVLDWZNVBDRZNN-UHFFFAOYSA-N
- Formula
- C8H9NO3
- SMILES
- COC(=O)c1ccc(OC)nc1
- Molecular Weight1
- 167.16
- CAS
- 26218-80-4
- Other Names
-
- Methyl 6-methoxynicotinate
- 6-Hydroxynicotinic acid, methyl ether, methyl ester
- Nicotinic acid, 6-methoxy-, methyl ester
- 3-Pyridinecarboxylic acid, 6-methoxy-, methyl ester
- 6-Methoxynicotinic acid methylester
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.5651 | Relay (1.0) Calculated Property | |
| ΔfG° | -169.89 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -408.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 67.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.877 | Crippen Calculated Property | |
| McVol | 123.110 | ml/mol | McGowan Calculated Property |
| Pc | 3330.34 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1582.80 | NIST | |
| Tboil | 518.67 | K | Relay (1.0) Calculated Property |
| Tc | 735.89 | K | Relay (1.0) Calculated Property |
| Tfus | 349.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.464 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![3-Pyridinecarboxylic acid, 6-[(trimethylsilyl)oxy]-, trimethylsilyl ester.](data:image/png;base64,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)
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- Crippen Method
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