- InChI
- InChI=1S/C13H16O3/c1-5-16-13(15)12(14)11-9(3)6-8(2)7-10(11)4/h6-7H,5H2,1-4H3
- InChI Key
- XRSPPFOBPRPYLD-UHFFFAOYSA-N
- Formula
- C13H16O3
- SMILES
- CCOC(=O)C(=O)c1c(C)cc(C)cc1C
- Molecular Weight1
- 220.27
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -484.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.358 | Crippen Calculated Property | |
| McVol | 179.280 | ml/mol | McGowan Calculated Property |
| Pc | 2241.88 | kPa | Joback Calculated Property |
| Tboil | 565.80 | K | Relay (1.0) Calculated Property |
| Tc | 772.90 | K | Relay (1.0) Calculated Property |
| Tfus | 294.17 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [455.94; 527.99] | J/mol×K | [650.75; 861.29] | 
|
| Cp,gas | 455.94 | J/mol×K | 650.75 | Joback Calculated Property |
| Cp,gas | 470.03 | J/mol×K | 685.84 | Joback Calculated Property |
| Cp,gas | 483.28 | J/mol×K | 720.93 | Joback Calculated Property |
| Cp,gas | 495.69 | J/mol×K | 756.02 | Joback Calculated Property |
| Cp,gas | 507.27 | J/mol×K | 791.11 | Joback Calculated Property |
| Cp,gas | 518.04 | J/mol×K | 826.20 | Joback Calculated Property |
| Cp,gas | 527.99 | J/mol×K | 861.29 | Joback Calculated Property |
| η | [0.0001502; 0.0011931] | Pa×s | [392.51; 650.75] |
|
| η | 0.0011931 | Pa×s | 392.51 | Joback Calculated Property |
| η | 0.0007121 | Pa×s | 435.55 | Joback Calculated Property |
| η | 0.0004663 | Pa×s | 478.59 | Joback Calculated Property |
| η | 0.0003275 | Pa×s | 521.63 | Joback Calculated Property |
| η | 0.0002427 | Pa×s | 564.67 | Joback Calculated Property |
| η | 0.0001877 | Pa×s | 607.71 | Joback Calculated Property |
| η | 0.0001502 | Pa×s | 650.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl mesitylglyoxylate.
Sources
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