- InChI
- InChI=1S/C10H11NO4/c1-4-6-14-9(12)8(3)11-10(13)15-7-5-2/h1-2,8H,6-7H2,3H3,(H,11,13)
- InChI Key
- DUPASYGKEDEDEO-UHFFFAOYSA-N
- Formula
- C10H11NO4
- SMILES
- C#CCOC(=O)C(C)N=C(O)OCC#C
- Molecular Weight1
- 209.20
- 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 | 0.6952 | Relay (... Calculated Property | |
| ΔfG° | -13.87 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -414.21 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 91.90 | kJ/mol | Relay (... Calculated Property |
| IE | 9.62 | eV | Relay (... Calculated Property |
| log10WS | -1.23 | Relay (... Calculated Property | |
| logPoct/wat | 0.115 | Crippen Calculated Property | |
| McVol | 159.420 | ml/mol | McGowan Calculated Property |
| Pc | 2912.39 | kPa | Joback Calculated Property |
| Inp | [1530.00; 1530.00] |
|
|
| Inp | 1530.00 | NIST | |
| Inp | 1530.00 | NIST | |
| Tboil | 536.28 | K | Relay (... Calculated Property |
| Tc | 741.41 | K | Relay (... Calculated Property |
| Tfus | 335.90 | K | Relay (... Calculated Property |
| Vc | 0.525 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-propargyloxycarbonyl-, propargyl 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
- Joback Method
- McGowan Method
- NIST Webbook
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