- InChI
- InChI=1S/C18H25NO3/c1-2-3-14-22-18(21)16-10-7-13-19(16)17(20)12-11-15-8-5-4-6-9-15/h4-6,8-9,16H,2-3,7,10-14H2,1H3
- InChI Key
- CGNNAXYODMPEFS-UHFFFAOYSA-N
- Formula
- C18H25NO3
- SMILES
-
CCCCOC(=O)C1CCCN1C(=O)CCc1cccc
c1 - Molecular Weight1
- 303.40
- 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 | 0.7577 | Relay (1.0) Calculated Property | |
| ΔfG° | -78.67 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -527.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 99.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.954 | Crippen Calculated Property | |
| McVol | 248.850 | ml/mol | McGowan Calculated Property |
| Pc | 1549.87 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2449.00; 2449.00] |
|
|
| Inp | 2449.00 | NIST | |
| Inp | 2449.00 | NIST | |
| Tboil | 641.13 | K | Relay (1.0) Calculated Property |
| Tc | 868.88 | K | Relay (1.0) Calculated Property |
| Tfus | 308.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.902 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(3-phenylpropionyl)-, butyl 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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