- InChI
- InChI=1S/C4H6N2O2/c1-2-8-4(7)3-6-5/h3H,2H2,1H3
- InChI Key
- YVPJCJLMRRTDMQ-UHFFFAOYSA-N
- Formula
- C4H6N2O2
- SMILES
- CCOC(=O)C=[N+]=[N-]
- Molecular Weight1
- 114.10
- CAS
- 623-73-4
- Other Names
-
- Acetic acid, diazo-, ethyl ester
- Diazoacetic acid ethyl ester
- Diazoacetic ester
- Ethoxycarbonyldiazomethane
- Daae
- Diazoessigsaeure-aethylester
- EDA
- Ethyl 2-diazoacetate
- ω : Acentric Factor.
- EA : Electron affinity (eV).
- 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 | 0.3728 | Relay (1.0) Calculated Property | |
| EA | 0.85 ± 0.09 | eV | NIST |
| ΔfG° | -0.94 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -141.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 48.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.150 | Crippen Calculated Property | |
| McVol | 86.020 | ml/mol | McGowan Calculated Property |
| Pc | 3576.46 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [834.00; 867.00] |
|
|
| Inp | 840.00 | NIST | |
| Inp | 867.00 | NIST | |
| Inp | 834.00 | NIST | |
| Inp | 840.00 | NIST | |
| Tboil | 413.01 | K | Relay (1.0) Calculated Property |
| Tc | 565.21 | K | Relay (1.0) Calculated Property |
| Tfus | 264.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.296 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl diazoacetate.
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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