- InChI
- InChI=1S/C28H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-32-28(31)26-20-17-21-29(26)27(30)25-19-16-18-24(2)23-25/h16,18-19,23,26H,3-15,17,20-22H2,1-2H3
- InChI Key
- QZQJEWZEVWGZOP-UHFFFAOYSA-N
- Formula
- C28H45NO3
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C1CCCN1C(
=O)c1cccc(C)c1 - 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 | 1.1566 | Relay (1.0) Calculated Property | |
| ΔfG° | -19.38 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -760.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 135.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.234 | Crippen Calculated Property | |
| McVol | 389.750 | ml/mol | McGowan Calculated Property |
| Pc | 497.29 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3487.00; 3487.00] |
|
|
| Inp | 3487.00 | NIST | |
| Inp | 3487.00 | NIST | |
| Tboil | 721.24 | K | Relay (1.0) Calculated Property |
| Tc | 942.00 | K | Relay (1.0) Calculated Property |
| Tfus | 320.11 | K | Relay (1.0) Calculated Property |
| Vc | 1.450 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(3-methylbenzoyl)-, 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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