- InChI
- InChI=1S/C6H5NO/c8-5-6-1-3-7-4-2-6/h1-5H
- InChI Key
- BGUWFUQJCDRPTL-UHFFFAOYSA-N
- Formula
- C6H5NO
- SMILES
- O=Cc1ccncc1
- Molecular Weight1
- 107.11
- CAS
- 872-85-5
- Other Names
-
- Isonicotinaldehyde
- p-Pyridinealdehyde
- Isonicotinic aldehyde
- Pyridine-4-carbaldehyde
- 4-Formylpyridine
- 4-Pyridinealdehyde
- Pyridine-4-aldehyde
- Pyridine-4-carboxaldehyde
- 4-Pyridylaldehyde
- 4-Pyridinecarbaldehyde
- NSC 8953
- p-Formylpyridine
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.3838 | Relay (1.0) Calculated Property | |
| PAff | 904.60 | kJ/mol | NIST |
| BasG | 872.80 | kJ/mol | NIST |
| ΔfG° | 57.60 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 12.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 57.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.12 ± 0.05 | eV | NIST |
| log10WS | 0.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.894 | Crippen Calculated Property | |
| McVol | 83.190 | ml/mol | McGowan Calculated Property |
| Pc | 5476.06 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1025.00; 1025.00] |
|
|
| Inp | 1025.00 | NIST | |
| Inp | 1025.00 | NIST | |
| I | [1668.00; 1668.00] |
|
|
| I | 1668.00 | NIST | |
| I | 1668.00 | NIST | |
| Tboil | 468.73 | K | Relay (1.0) Calculated Property |
| Tc | 741.02 | K | Relay (1.0) Calculated Property |
| Tfus | 334.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.296 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 350.70 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to 4-Pyridinecarboxaldehyde.
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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