- InChI
- InChI=1S/C12H17NO4/c1-3-8-16-11(14)10-6-5-7-13(10)12(15)17-9-4-2/h3-4,10H,1-2,5-9H2
- InChI Key
- QYFSHFUECLCTOS-UHFFFAOYSA-N
- Formula
- C12H17NO4
- SMILES
- C=CCOC(=O)C1CCCN1C(=O)OCC=C
- Molecular Weight1
- 239.27
- 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 | 0.6042 | Relay (1.0) Calculated Property | |
| ΔfG° | -175.97 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -628.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 82.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.503 | Crippen Calculated Property | |
| McVol | 185.340 | ml/mol | McGowan Calculated Property |
| Pc | 2068.86 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1701.00; 1701.00] |
|
|
| Inp | 1701.00 | NIST | |
| Inp | 1701.00 | NIST | |
| Tboil | 586.82 | K | Relay (1.0) Calculated Property |
| Tc | 772.94 | K | Relay (1.0) Calculated Property |
| Tfus | 281.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.635 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to d-Proline, N-allyloxycarbonyl-, allyl 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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