- InChI
- InChI=1S/C28H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-23-32-28(31)26-21-18-22-29(26)27(30)24-25-19-15-14-16-20-25/h14-16,19-20,26H,2-13,17-18,21-24H2,1H3
- InChI Key
- PIRWLZJRMOFPQQ-UHFFFAOYSA-N
- Formula
- C28H45NO3
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C1CCCN1C(
=O)Cc1ccccc1 - Molecular Weight1
- 443.66
- 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 | 1.1433 | Relay (1.0) Calculated Property | |
| ΔfG° | -2.12 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -745.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 133.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.854 | Crippen Calculated Property | |
| McVol | 389.750 | ml/mol | McGowan Calculated Property |
| Pc | 581.48 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3497.00; 3497.00] |
|
|
| Inp | 3497.00 | NIST | |
| Inp | 3497.00 | NIST | |
| Tboil | 711.79 | K | Relay (1.0) Calculated Property |
| Tc | 942.00 | K | Relay (1.0) Calculated Property |
| Tfus | 338.86 | K | Relay (1.0) Calculated Property |
| Vc | 1.443 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(phenylacetyl)-, pentadecyl ester.
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
- McGowan Method
- NIST Webbook
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