- InChI
- InChI=1S/C20H29NO3/c1-16(2)8-7-15-24-20(23)18-11-6-14-21(18)19(22)13-12-17-9-4-3-5-10-17/h3-5,9-10,16,18H,6-8,11-15H2,1-2H3
- InChI Key
- JPJMDJPKTAACJZ-UHFFFAOYSA-N
- Formula
- C20H29NO3
- SMILES
-
CC(C)CCCOC(=O)C1CCCN1C(=O)CCc1
ccccc1 - Molecular Weight1
- 331.45
- 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 | 0.8023 | Relay (1.0) Calculated Property | |
| ΔfG° | -67.06 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -589.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 103.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.590 | Crippen Calculated Property | |
| McVol | 277.030 | ml/mol | McGowan Calculated Property |
| Pc | 1271.03 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2590.00; 2590.00] |
|
|
| Inp | 2590.00 | NIST | |
| Inp | 2590.00 | NIST | |
| Tboil | 656.29 | K | Relay (1.0) Calculated Property |
| Tc | 886.18 | K | Relay (1.0) Calculated Property |
| Tfus | 324.08 | K | Relay (1.0) Calculated Property |
| Vc | 1.003 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(3-phenylpropionyl)-, isohexyl 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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