- InChI
- InChI=1S/C6H8O5/c1-10-5(9)6(3-11-6)2-4(7)8/h2-3H2,1H3,(H,7,8)
- InChI Key
- NPLCGOZVEOVQGF-UHFFFAOYSA-N
- Formula
- C6H8O5
- SMILES
- COC(=O)C1(CC(=O)O)CO1
- Molecular Weight1
- 160.12
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.6773 | Relay (... Calculated Property | |
| ΔfG° | -530.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -828.48 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 19.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.97 | kJ/mol | Relay (... Calculated Property |
| IE | 10.30 | eV | Relay (... Calculated Property |
| log10WS | -0.04 | Relay (... Calculated Property | |
| logPoct/wat | -0.597 | Crippen Calculated Property | |
| McVol | 105.290 | ml/mol | McGowan Calculated Property |
| Pc | 4910.80 | kPa | Joback Calculated Property |
| Inp | 1180.00 | NIST | |
| Tboil | 504.73 | K | Relay (... Calculated Property |
| Tc | 726.05 | K | Relay (... Calculated Property |
| Tfus | 360.59 | K | Relay (... Calculated Property |
| Vc | 0.387 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [266.26; 307.43] | J/mol×K | [592.95; 790.67] | 
|
| Cp,gas | 266.26 | J/mol×K | 592.95 | Joback Calculated Property |
| Cp,gas | 273.93 | J/mol×K | 625.90 | Joback Calculated Property |
| Cp,gas | 281.16 | J/mol×K | 658.86 | Joback Calculated Property |
| Cp,gas | 288.05 | J/mol×K | 691.81 | Joback Calculated Property |
| Cp,gas | 294.66 | J/mol×K | 724.76 | Joback Calculated Property |
| Cp,gas | 301.10 | J/mol×K | 757.72 | Joback Calculated Property |
| Cp,gas | 307.43 | J/mol×K | 790.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Carboxymethyl-oxirane-2-carboxylic acid methyl ester.
Sources
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