- InChI
- InChI=1S/C27H43NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-32-27(30)25-19-16-20-28(25)26(29)23-17-15-18-24(22-23)31-2/h15,17-18,22,25H,3-14,16,19-21H2,1-2H3
- InChI Key
- CZUSGKBAYGMSHY-UHFFFAOYSA-N
- Formula
- C27H43NO4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C1CCCN1C(=
O)c1cccc(OC)c1 - Molecular Weight1
- 445.63
- 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 | 1.1788 | Relay (1.0) Calculated Property | |
| ΔfG° | -106.17 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -840.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 135.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.544 | Crippen Calculated Property | |
| McVol | 381.530 | ml/mol | McGowan Calculated Property |
| Pc | 564.20 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3523.00; 3523.00] |
|
|
| Inp | 3523.00 | NIST | |
| Inp | 3523.00 | NIST | |
| Tboil | 722.97 | K | Relay (1.0) Calculated Property |
| Tc | 944.36 | K | Relay (1.0) Calculated Property |
| Tfus | 333.89 | K | Relay (1.0) Calculated Property |
| Vc | 1.414 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(3-methoxybenzoyl)-, tetradecyl 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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