- InChI
- InChI=1S/C8H12O5/c1-11-6(9)3-4-8(5-13-8)7(10)12-2/h3-5H2,1-2H3
- InChI Key
- MUENPMULFJSIGN-UHFFFAOYSA-N
- Formula
- C8H12O5
- SMILES
- COC(=O)CCC1(C(=O)OC)CO1
- Molecular Weight1
- 188.18
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -482.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -742.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.99 | kJ/mol | Joback Calculated Property |
| log10WS | 9.80e-03 | Crippen Calculated Property | |
| logPoct/wat | -0.118 | Crippen Calculated Property | |
| McVol | 133.470 | ml/mol | McGowan Calculated Property |
| Pc | 3348.98 | kPa | Joback Calculated Property |
| Inp | 1291.00 | NIST | |
| Tboil | 568.95 | K | Joback Calculated Property |
| Tc | 772.22 | K | Joback Calculated Property |
| Tfus | 392.65 | K | Joback Calculated Property |
| Vc | 0.507 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [334.59; 394.61] | J/mol×K | [568.95; 772.22] | 
|
| Cp,gas | 334.59 | J/mol×K | 568.95 | Joback Calculated Property |
| Cp,gas | 345.86 | J/mol×K | 602.83 | Joback Calculated Property |
| Cp,gas | 356.52 | J/mol×K | 636.71 | Joback Calculated Property |
| Cp,gas | 366.64 | J/mol×K | 670.58 | Joback Calculated Property |
| Cp,gas | 376.31 | J/mol×K | 704.46 | Joback Calculated Property |
| Cp,gas | 385.61 | J/mol×K | 738.34 | Joback Calculated Property |
| Cp,gas | 394.61 | J/mol×K | 772.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(2-Methoxycarbonyl-ethyl)-oxirane-2-carboxylic acid methyl ester.
Sources
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