- InChI
- InChI=1S/C19H20O4/c1-3-17(14-9-6-5-7-10-14)23-19(21)16-12-8-11-15(13-16)18(20)22-4-2/h5-13,17H,3-4H2,1-2H3
- InChI Key
- QCQQWHIMVURXKR-UHFFFAOYSA-N
- Formula
- C19H20O4
- SMILES
-
CCOC(=O)c1cccc(C(=O)OC(CC)c2cc
ccc2)c1 - Molecular Weight1
- 312.36
- 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° | -145.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -468.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.03 | kJ/mol | Joback Calculated Property |
| log10WS | -5.29 | Crippen Calculated Property | |
| logPoct/wat | 4.171 | Crippen Calculated Property | |
| McVol | 245.930 | ml/mol | McGowan Calculated Property |
| Pc | 1898.60 | kPa | Joback Calculated Property |
| Inp | [2431.00; 2431.00] |
|
|
| Inp | 2431.00 | NIST | |
| Inp | 2431.00 | NIST | |
| Tboil | 844.60 | K | Joback Calculated Property |
| Tc | 1073.74 | K | Joback Calculated Property |
| Tfus | 498.57 | K | Joback Calculated Property |
| Vc | 0.925 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [724.99; 791.70] | J/mol×K | [844.60; 1073.74] |
|
| Cp,gas | 724.99 | J/mol×K | 844.60 | Joback Calculated Property |
| Cp,gas | 739.26 | J/mol×K | 882.79 | Joback Calculated Property |
| Cp,gas | 752.23 | J/mol×K | 920.98 | Joback Calculated Property |
| Cp,gas | 763.91 | J/mol×K | 959.17 | Joback Calculated Property |
| Cp,gas | 774.36 | J/mol×K | 997.36 | Joback Calculated Property |
| Cp,gas | 783.61 | J/mol×K | 1035.55 | Joback Calculated Property |
| Cp,gas | 791.70 | J/mol×K | 1073.74 | Joback Calculated Property |
| η | [0.0000589; 0.0006328] | Pa×s | [498.57; 844.60] |
|
| η | 0.0006328 | Pa×s | 498.57 | Joback Calculated Property |
| η | 0.0003470 | Pa×s | 556.24 | Joback Calculated Property |
| η | 0.0002130 | Pa×s | 613.91 | Joback Calculated Property |
| η | 0.0001422 | Pa×s | 671.59 | Joback Calculated Property |
| η | 0.0001012 | Pa×s | 729.26 | Joback Calculated Property |
| η | 0.0000757 | Pa×s | 786.93 | Joback Calculated Property |
| η | 0.0000589 | Pa×s | 844.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, ethyl 1-phenylpropyl ester.
Sources
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