- InChI
- InChI=1S/C14H23NO4/c1-3-5-6-11-18-13(16)12-8-7-9-15(12)14(17)19-10-4-2/h4,12H,2-3,5-11H2,1H3
- InChI Key
- XKMQMBNOTWFWQQ-UHFFFAOYSA-N
- Formula
- C14H23NO4
- SMILES
- C=CCOC(=O)N1CCCC1C(=O)OCCCCC
- Molecular Weight1
- 269.34
- 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 | 0.7232 | Relay (1.0) Calculated Property | |
| ΔfG° | -223.41 | kJ/mol | Relay (1.0-beta) Calculated Property ⚠️ |
| ΔfH°gas | -760.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 83.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.507 | Crippen Calculated Property | |
| McVol | 217.820 | ml/mol | McGowan Calculated Property |
| Pc | 1709.04 | kPa | Relay (1.0-beta) Calculated Property ⚠️ |
| Inp | [1895.00; 1895.00] |
|
|
| Inp | 1895.00 | NIST | |
| Inp | 1895.00 | NIST | |
| Tboil | 606.80 | K | Relay (1.0) Calculated Property |
| Tc | 787.25 | K | Relay (1.0) Calculated Property |
| Tfus | 270.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.779 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to d-Proline, N-allyloxycarbonyl-, pentyl 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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