- InChI
- InChI=1S/C5H9N/c1-2-4-6-5-3-1/h1-2,6H,3-5H2
- InChI Key
- FTAHXMZRJCZXDL-UHFFFAOYSA-N
- Formula
- C5H9N
- SMILES
- C1=CCNCC1
- Molecular Weight1
- 83.13
- CAS
- 694-05-3
- Other Names
-
- Pyridine, 1,2,3,6-tetrahydro-
- «delta»3-Piperidine
- 1,2,5,6-Tetrahydropyridine
- UN 2410
- Pyridine, 1,2,5,6-tetrahydro-
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 |
|---|---|---|---|
| ΔcH°liquid | -3287.30 ± 2.30 | kJ/mol | NIST |
| ΔfG° | 141.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 23.72 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | 33.00 ± 2.30 | kJ/mol | NIST |
| ΔfusH° | 10.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.70 | kJ/mol | NIST |
| IE | [8.00; 8.64] | eV |
|
| IE | 8.00 | eV | NIST |
| IE | 8.64 ± 0.05 | eV | NIST |
| log10WS | -0.85 | Crippen Calculated Property | |
| logPoct/wat | 0.536 | Crippen Calculated Property | |
| McVol | 76.130 | ml/mol | McGowan Calculated Property |
| Pc | 5109.34 | kPa | Joback Calculated Property |
| Tboil | 381.20 | K | NIST |
| Tc | 604.79 | K | Joback Calculated Property |
| Tfus | 263.52 | K | Joback Calculated Property |
| Vc | 0.273 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [123.72; 187.81] | J/mol×K | [385.73; 604.79] |
|
| Cp,gas | 123.72 | J/mol×K | 385.73 | Joback Calculated Property |
| Cp,gas | 135.93 | J/mol×K | 422.24 | Joback Calculated Property |
| Cp,gas | 147.51 | J/mol×K | 458.75 | Joback Calculated Property |
| Cp,gas | 158.48 | J/mol×K | 495.26 | Joback Calculated Property |
| Cp,gas | 168.84 | J/mol×K | 531.77 | Joback Calculated Property |
| Cp,gas | 178.61 | J/mol×K | 568.28 | Joback Calculated Property |
| Cp,gas | 187.81 | J/mol×K | 604.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,3,6-Tetrahydropyridine.
Sources
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