- InChI
- InChI=1S/C7H15NO/c1-8-5-3-2-4-7(8)6-9/h7,9H,2-6H2,1H3
- InChI Key
- HXXJMMLIEYAFOZ-UHFFFAOYSA-N
- Formula
- C7H15NO
- SMILES
- CN1CCCCC1CO
- Molecular Weight1
- 129.20
- CAS
- 20845-34-5
- Other Names
-
- 1-Methyl-2-hydroxymethylpiperidine
- 2-Piperidinemethanol, 1-methyl-
- 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 | 0.5435 | Relay (1.0) Calculated Property | |
| ΔfG° | -5.52 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -236.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 68.20 ± 0.70 | kJ/mol | NIST |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.463 | Crippen Calculated Property | |
| McVol | 114.480 | ml/mol | McGowan Calculated Property |
| Pc | 3538.72 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 473.33 | K | Relay (1.0) Calculated Property |
| Tc | 713.35 | K | Relay (1.0) Calculated Property |
| Tfus | 335.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.392 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 352.70 | K | 0.90 | NIST |
Similar Compounds
Find more compounds similar to 1-Methyl-2-piperidinemethanol.
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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