- InChI
- InChI=1S/C18H29NO/c1-2-3-4-5-6-7-11-16-19-18(20)15-14-17-12-9-8-10-13-17/h8-10,12-13H,2-7,11,14-16H2,1H3,(H,19,20)
- InChI Key
- MRZKVJDBBUTCLQ-UHFFFAOYSA-N
- Formula
- C18H29NO
- SMILES
- CCCCCCCCCN=C(O)CCc1ccccc1
- Molecular Weight1
- 275.43
- 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 | 0.9614 | Relay (1.0) Calculated Property | |
| ΔfG° | 136.71 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -313.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 119.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.326 | Crippen Calculated Property | |
| McVol | 252.270 | ml/mol | McGowan Calculated Property |
| Pc | 1453.46 | kPa | Joback Calculated Property |
| Inp | [2359.00; 2359.00] |
|
|
| Inp | 2359.00 | NIST | |
| Inp | 2359.00 | NIST | |
| Tboil | 631.62 | K | Relay (1.0) Calculated Property |
| Tc | 840.04 | K | Relay (1.0) Calculated Property |
| Tfus | 350.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.936 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, 3-phenyl-N-nonyl-.
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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