- InChI
- InChI=1S/C13H16O5/c1-3-17-12(14)10-5-4-6-11(9-10)13(15)18-8-7-16-2/h4-6,9H,3,7-8H2,1-2H3
- InChI Key
- LSZNLFSHZJKMQP-UHFFFAOYSA-N
- Formula
- C13H16O5
- SMILES
- CCOC(=O)c1cccc(C(=O)OCCOC)c1
- Molecular Weight1
- 252.26
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -411.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -708.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.19 | kJ/mol | Joback Calculated Property |
| log10WS | -2.30 | Crippen Calculated Property | |
| logPoct/wat | 1.666 | Crippen Calculated Property | |
| McVol | 191.020 | ml/mol | McGowan Calculated Property |
| Pc | 2322.54 | kPa | Joback Calculated Property |
| Inp | [1919.00; 1919.00] |
|
|
| Inp | 1919.00 | NIST | |
| Inp | 1919.00 | NIST | |
| Tboil | 703.50 | K | Joback Calculated Property |
| Tc | 910.34 | K | Joback Calculated Property |
| Tfus | 441.76 | K | Joback Calculated Property |
| Vc | 0.722 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [513.53; 582.24] | J/mol×K | [703.50; 910.34] |
|
| Cp,gas | 513.53 | J/mol×K | 703.50 | Joback Calculated Property |
| Cp,gas | 527.16 | J/mol×K | 737.97 | Joback Calculated Property |
| Cp,gas | 539.94 | J/mol×K | 772.45 | Joback Calculated Property |
| Cp,gas | 551.84 | J/mol×K | 806.92 | Joback Calculated Property |
| Cp,gas | 562.86 | J/mol×K | 841.39 | Joback Calculated Property |
| Cp,gas | 573.00 | J/mol×K | 875.86 | Joback Calculated Property |
| Cp,gas | 582.24 | J/mol×K | 910.34 | Joback Calculated Property |
| η | [0.0001039; 0.0007681] | Pa×s | [441.76; 703.50] |
|
| η | 0.0007681 | Pa×s | 441.76 | Joback Calculated Property |
| η | 0.0004738 | Pa×s | 485.38 | Joback Calculated Property |
| η | 0.0003164 | Pa×s | 529.01 | Joback Calculated Property |
| η | 0.0002248 | Pa×s | 572.63 | Joback Calculated Property |
| η | 0.0001676 | Pa×s | 616.25 | Joback Calculated Property |
| η | 0.0001299 | Pa×s | 659.88 | Joback Calculated Property |
| η | 0.0001039 | Pa×s | 703.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, ethyl 2-methoxyethyl ester.
Sources
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