- InChI
- InChI=1S/C27H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-28-27(29)24-23-26-21-18-17-19-22-26/h17-19,21-22H,2-16,20,23-25H2,1H3,(H,28,29)
- InChI Key
- OGEPYHVHEMOTBL-UHFFFAOYSA-N
- Formula
- C27H47NO
- SMILES
-
CCCCCCCCCCCCCCCCCCN=C(O)CCc1cc
ccc1 - Molecular Weight1
- 401.67
- 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 | 1.2818 | Relay (1.0) Calculated Property | |
| ΔfG° | 203.18 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -506.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 158.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.837 | Crippen Calculated Property | |
| McVol | 379.080 | ml/mol | McGowan Calculated Property |
| Pc | 822.42 | kPa | Joback Calculated Property |
| Inp | [3347.00; 3347.00] |
|
|
| Inp | 3347.00 | NIST | |
| Inp | 3347.00 | NIST | |
| Tboil | 691.87 | K | Relay (1.0) Calculated Property |
| Tc | 903.86 | K | Relay (1.0) Calculated Property |
| Tfus | 368.45 | K | Relay (1.0) Calculated Property |
| Vc | 1.429 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, 3-phenyl-N-octadecyl-.
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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