- InChI
- InChI=1S/C22H39NO3/c1-2-3-4-5-6-7-10-18-26-22(25)20-14-11-17-23(20)21(24)16-15-19-12-8-9-13-19/h19-20H,2-18H2,1H3
- InChI Key
- IIXBBSLZCGWSPR-UHFFFAOYSA-N
- Formula
- C22H39NO3
- SMILES
-
CCCCCCCCCOC(=O)C1CCCN1C(=O)CCC
1CCCC1 - Molecular Weight1
- 365.55
- 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 | 0.9197 | Relay (1.0) Calculated Property | |
| ΔfG° | -122.57 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -848.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 109.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.242 | Crippen Calculated Property | |
| McVol | 318.110 | ml/mol | McGowan Calculated Property |
| Pc | 919.16 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2813.00; 2813.00] |
|
|
| Inp | 2813.00 | NIST | |
| Inp | 2813.00 | NIST | |
| Tboil | 667.51 | K | Relay (1.0) Calculated Property |
| Tc | 892.13 | K | Relay (1.0) Calculated Property |
| Tfus | 316.70 | K | Relay (1.0) Calculated Property |
| Vc | 1.183 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(3-cyclopentylpropionyl)-, nonyl 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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