- InChI
- InChI=1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)/p-1
- InChI Key
- RMIODHQZRUFFFF-UHFFFAOYSA-M
- Formula
- C3H5O3-
- SMILES
- COCC(=O)[O-]
- Molecular Weight1
- 89.07
- CAS
- 20758-58-1
- 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 | 0.4271 | Relay (... Calculated Property | |
| EAneutral | 3.67 ± 0.16 | eV | NIST |
| ΔfG° | -294.73 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -503.03 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 37.61 | kJ/mol | Relay (... Calculated Property |
| IE | 9.85 | eV | Relay (... Calculated Property |
| log10WS | 0.86 | Relay (... Calculated Property | |
| logPoct/wat | -1.617 | Crippen Calculated Property | |
| McVol | 64.290 | ml/mol | McGowan Calculated Property |
| Pc | 4322.67 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 395.69 | K | Relay (... Calculated Property |
| Tc | 554.42 | K | Relay (... Calculated Property |
| Tfus | 238.24 | K | Relay (... Calculated Property |
| Vc | 0.225 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to MeOCH2CO2 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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