- InChI
- InChI=1S/C29H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-25-33-29(32)27-21-18-24-30(27)28(31)23-22-26-19-15-14-16-20-26/h14-16,19-20,27H,2-13,17-18,21-25H2,1H3
- InChI Key
- CTPALQHPNYXGJH-UHFFFAOYSA-N
- Formula
- C29H47NO3
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C1CCCN1C(
=O)CCc1ccccc1 - Molecular Weight1
- 457.69
- 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 | 1.1797 | Relay (1.0) Calculated Property | |
| ΔfG° | 7.77 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -762.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 140.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.245 | Crippen Calculated Property | |
| McVol | 403.840 | ml/mol | McGowan Calculated Property |
| Pc | 508.89 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3592.00; 3592.00] |
|
|
| Inp | 3592.00 | NIST | |
| Inp | 3592.00 | NIST | |
| Tboil | 714.92 | K | Relay (1.0) Calculated Property |
| Tc | 946.14 | K | Relay (1.0) Calculated Property |
| Tfus | 327.63 | K | Relay (1.0) Calculated Property |
| Vc | 1.498 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(3-phenylpropionyl)-, 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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