- InChI
- InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/p-1
- InChI Key
- XBDQKXXYIPTUBI-UHFFFAOYSA-M
- Formula
- C3H5O2-
- SMILES
- CCC(=O)[O-]
- Molecular Weight1
- 73.07
- CAS
- 72-03-7
- ω : Acentric Factor.
- EAneutral : Electron affinity of neutral species (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).
- 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 | 0.3677 | Relay (1.0) Calculated Property | |
| EAneutral | [3.40; 3.43] | eV |
|
| EAneutral | 3.43 ± 0.16 | eV | NIST |
| EAneutral | 3.40 ± 0.30 | eV | NIST |
| ΔfG° | -215.94 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -398.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 31.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.24 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.854 | Crippen Calculated Property | |
| McVol | 58.420 | ml/mol | McGowan Calculated Property |
| Pc | 4527.19 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 363.76 | K | Relay (1.0) Calculated Property |
| Tc | 508.03 | K | Relay (1.0) Calculated Property |
| Tfus | 205.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.214 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to EtCO2 anion.
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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