- InChI
- InChI=1S/C25H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-26-25(27)22-21-24-19-16-15-17-20-24/h15-17,19-20H,2-14,18,21-23H2,1H3,(H,26,27)
- InChI Key
- KRGZTACOEPAZLB-UHFFFAOYSA-N
- Formula
- C25H43NO
- SMILES
-
CCCCCCCCCCCCCCCCN=C(O)CCc1cccc
c1 - Molecular Weight1
- 373.62
- 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 | 1.2110 | Relay (1.0) Calculated Property | |
| ΔfG° | 188.38 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -463.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 149.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.057 | Crippen Calculated Property | |
| McVol | 350.900 | ml/mol | McGowan Calculated Property |
| Pc | 921.06 | kPa | Joback Calculated Property |
| Inp | 3114.00 | NIST | |
| Tboil | 678.88 | K | Relay (1.0) Calculated Property |
| Tc | 891.08 | K | Relay (1.0) Calculated Property |
| Tfus | 365.04 | K | Relay (1.0) Calculated Property |
| Vc | 1.319 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, 3-phenyl-N-hexadecyl-.
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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