- InChI
- InChI=1S/C6H7NO/c1-8-6-3-2-4-7-5-6/h2-5H,1H3
- InChI Key
- UMJSCPRVCHMLSP-UHFFFAOYSA-N
- Formula
- C6H7NO
- SMILES
- COc1cccnc1
- Molecular Weight1
- 109.13
- CAS
- 7295-76-3
- Other Names
-
- «beta»-Methoxypyridine
- 3-Methoxypyridine
- 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).
- Inp : Non-polar retention indices.
- I : 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 | 0.3741 | Relay (1.0) Calculated Property | |
| PAff | 942.70 | kJ/mol | NIST |
| BasG | 910.90 | kJ/mol | NIST |
| ΔfG° | 76.16 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 7.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 51.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.34; 9.34] | eV |
|
| IE | 9.34 ± 0.02 | eV | NIST |
| IE | 9.34 ± 0.05 | eV | NIST |
| log10WS | -0.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.090 | Crippen Calculated Property | |
| McVol | 87.490 | ml/mol | McGowan Calculated Property |
| Pc | 4592.00 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [960.00; 998.00] |
|
|
| Inp | 966.00 | NIST | |
| Inp | 960.00 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 998.00 | NIST | |
| Inp | 993.00 | NIST | |
| Inp | 966.00 | NIST | |
| I | [1570.00; 1584.00] |
|
|
| I | 1584.00 | NIST | |
| I | 1579.00 | NIST | |
| I | 1576.00 | NIST | |
| I | 1579.00 | NIST | |
| I | 1570.00 | NIST | |
| I | 1581.00 | NIST | |
| Tboil | 459.56 | K | Relay (1.0) Calculated Property |
| Tc | 671.67 | K | Relay (1.0) Calculated Property |
| Tfus | 254.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.310 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyridine, 3-methoxy-.
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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