- InChI
- InChI=1S/C13H25NO/c1-3-5-11-14(10-4-2)13(15)12-8-6-7-9-12/h12H,3-11H2,1-2H3
- InChI Key
- YGMXVSPQACZNPE-UHFFFAOYSA-N
- Formula
- C13H25NO
- SMILES
- CCCCN(CCC)C(=O)C1CCCC1
- Molecular Weight1
- 211.34
- 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).
- Inp : Non-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° | 76.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -296.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.58 | kJ/mol | Joback Calculated Property |
| log10WS | -3.26 | Crippen Calculated Property | |
| logPoct/wat | 3.215 | Crippen Calculated Property | |
| McVol | 194.720 | ml/mol | McGowan Calculated Property |
| Pc | 2019.95 | kPa | Joback Calculated Property |
| Inp | [1781.00; 1781.00] |
|
|
| Inp | 1781.00 | NIST | |
| Inp | 1781.00 | NIST | |
| Tboil | 578.43 | K | Joback Calculated Property |
| Tc | 768.22 | K | Joback Calculated Property |
| Tfus | 329.57 | K | Joback Calculated Property |
| Vc | 0.729 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [513.70; 615.71] | J/mol×K | [578.43; 768.22] |
|
| Cp,gas | 513.70 | J/mol×K | 578.43 | Joback Calculated Property |
| Cp,gas | 533.16 | J/mol×K | 610.06 | Joback Calculated Property |
| Cp,gas | 551.58 | J/mol×K | 641.69 | Joback Calculated Property |
| Cp,gas | 569.01 | J/mol×K | 673.32 | Joback Calculated Property |
| Cp,gas | 585.48 | J/mol×K | 704.96 | Joback Calculated Property |
| Cp,gas | 601.03 | J/mol×K | 736.59 | Joback Calculated Property |
| Cp,gas | 615.71 | J/mol×K | 768.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentanecarboxamide, N-butyl-N-propyl-.
Sources
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