- InChI
- InChI=1S/C27H43NO3/c1-3-5-7-8-9-10-11-12-13-22-31-27(30)25-16-14-21-28(25)26(29)24-19-17-23(18-20-24)15-6-4-2/h17-20,25H,3-16,21-22H2,1-2H3
- InChI Key
- FFUBZNJNVBTHQJ-UHFFFAOYSA-N
- Formula
- C27H43NO3
- SMILES
-
CCCCCCCCCCCOC(=O)C1CCCN1C(=O)c
1ccc(CCCC)cc1 - Molecular Weight1
- 429.64
- 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 | 1.1225 | Relay (1.0) Calculated Property | |
| ΔfG° | -34.09 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -736.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 130.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.708 | Crippen Calculated Property | |
| McVol | 375.660 | ml/mol | McGowan Calculated Property |
| Pc | 582.75 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3388.00; 3388.00] |
|
|
| Inp | 3388.00 | NIST | |
| Inp | 3388.00 | NIST | |
| Tboil | 716.20 | K | Relay (1.0) Calculated Property |
| Tc | 935.33 | K | Relay (1.0) Calculated Property |
| Tfus | 312.91 | K | Relay (1.0) Calculated Property |
| Vc | 1.394 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(4-butylbenzoyl)-, undecyl 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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