- InChI
- InChI=1S/C15H29NO/c1-2-3-4-5-8-13-16-15(17)12-11-14-9-6-7-10-14/h14H,2-13H2,1H3,(H,16,17)
- InChI Key
- PEJJAAPZOOWGBW-UHFFFAOYSA-N
- Formula
- C15H29NO
- SMILES
- CCCCCCCN=C(O)CCC1CCCC1
- Molecular Weight1
- 239.40
- 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).
- 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 |
|---|---|---|---|
| ω | 0.8496 | Relay (1.0) Calculated Property | |
| ΔfG° | 44.37 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -470.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 105.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.884 | Crippen Calculated Property | |
| McVol | 222.900 | ml/mol | McGowan Calculated Property |
| Pc | 1618.07 | kPa | Joback Calculated Property |
| Inp | [2026.00; 2026.00] |
|
|
| Inp | 2026.00 | NIST | |
| Inp | 2026.00 | NIST | |
| Tboil | 617.57 | K | Relay (1.0) Calculated Property |
| Tc | 806.46 | K | Relay (1.0) Calculated Property |
| Tfus | 329.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.809 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, 3-cyclopentyl-N-heptyl-.
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
- Joback Method
- McGowan Method
- NIST Webbook
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