- InChI
- InChI=1S/C6H13NO/c8-5-6-2-1-3-7-4-6/h6-8H,1-5H2
- InChI Key
- VUNPWIPIOOMCPT-UHFFFAOYSA-N
- Formula
- C6H13NO
- SMILES
- OCC1CCCNC1
- Molecular Weight1
- 115.17
- CAS
- 4606-65-9
- Other Names
-
- 3-(hydroxymethyl)piperidine
- piperidin-3-ylmethanol
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 16.81 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 95.90 ± 1.40 | kJ/mol | NIST |
| ΔvapH° | 78.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | -0.022 | Crippen Calculated Property | |
| McVol | 100.390 | ml/mol | McGowan Calculated Property |
| Tboil | 481.02 | K | Relay (1.0) Calculated Property |
| Tfus | 371.22 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [228.65; 298.04] | J/mol×K | [497.16; 698.62] | 
|
| Cp,gas | 228.65 | J/mol×K | 497.16 | Joback Calculated Property |
| Cp,gas | 241.75 | J/mol×K | 530.74 | Joback Calculated Property |
| Cp,gas | 254.22 | J/mol×K | 564.31 | Joback Calculated Property |
| Cp,gas | 266.08 | J/mol×K | 597.89 | Joback Calculated Property |
| Cp,gas | 277.33 | J/mol×K | 631.46 | Joback Calculated Property |
| Cp,gas | 287.98 | J/mol×K | 665.04 | Joback Calculated Property |
| Cp,gas | 298.04 | J/mol×K | 698.62 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 379.70 | K | 0.50 | NIST |
Similar Compounds
Find more compounds similar to 3-Piperidinemethanol.
Mixtures
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
- A comparative study of the volumetric properties of aqueous solutions of pyridine and piperidine derivatives
- Standard molar enthalpies of formation of 2-, 3-, and 4-piperidinomethanol isomers
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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