- InChI
- InChI=1S/C6H8N2/c1-5-2-3-8-4-6(5)7/h2-4H,7H2,1H3
- InChI Key
- IBKMZYWDWWIWEL-UHFFFAOYSA-N
- Formula
- C6H8N2
- SMILES
- Cc1ccncc1N
- Molecular Weight1
- 108.14
- CAS
- 3430-27-1
- Other Names
-
- 3-Pyridinamine, 4-methyl-
- 4-Picoline, 3-amino-
- 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).
- 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 | 0.4512 | Relay (1.0) Calculated Property | |
| ΔfG° | 220.53 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 122.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 59.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | NIST |
| log10WS | -0.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.972 | Crippen Calculated Property | |
| McVol | 91.600 | ml/mol | McGowan Calculated Property |
| Pc | 4661.31 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 512.08 | K | Relay (1.0) Calculated Property |
| Tc | 748.25 | K | Relay (1.0) Calculated Property |
| Tfus | 367.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.318 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 527.20 | K | 98.00 | NIST |
Similar Compounds
Find more compounds similar to 3-Amino-4-picoline.
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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