- InChI
- InChI=1S/C7H13NO/c1-6(9)7-4-2-3-5-8-7/h7-8H,2-5H2,1H3
- InChI Key
- SHTKZOSFNVMLJZ-UHFFFAOYSA-N
- Formula
- C7H13NO
- SMILES
- CC(=O)C1CCCCN1
- Molecular Weight1
- 127.18
- CAS
- 97073-22-8
- 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- I : Polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | -8.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -208.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.11 | kJ/mol | Joback Calculated Property |
| log10WS | -1.23 | Crippen Calculated Property | |
| logPoct/wat | 0.717 | Crippen Calculated Property | |
| McVol | 110.180 | ml/mol | McGowan Calculated Property |
| Pc | 3920.94 | kPa | Joback Calculated Property |
| I | 1571.00 | NIST | |
| Tboil | 481.53 | K | Joback Calculated Property |
| Tc | 704.57 | K | Joback Calculated Property |
| Tfus | 330.99 | K | Joback Calculated Property |
| Vc | 0.404 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [237.38; 319.13] | J/mol×K | [481.53; 704.57] | 
|
| Cp,gas | 237.38 | J/mol×K | 481.53 | Joback Calculated Property |
| Cp,gas | 253.02 | J/mol×K | 518.70 | Joback Calculated Property |
| Cp,gas | 267.83 | J/mol×K | 555.88 | Joback Calculated Property |
| Cp,gas | 281.84 | J/mol×K | 593.05 | Joback Calculated Property |
| Cp,gas | 295.05 | J/mol×K | 630.23 | Joback Calculated Property |
| Cp,gas | 307.48 | J/mol×K | 667.40 | Joback Calculated Property |
| Cp,gas | 319.13 | J/mol×K | 704.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Acetylpiperidine.
Sources
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