- InChI
- InChI=1S/C22H26O4/c1-6-14-25-20(23)16-11-7-8-12-17(16)21(24)26-19-15(2)10-9-13-18(19)22(3,4)5/h7-13H,6,14H2,1-5H3
- InChI Key
- QVZQTXXABIYZFE-UHFFFAOYSA-N
- Formula
- C22H26O4
- SMILES
-
CCCOC(=O)c1ccccc1C(=O)Oc1c(C)c
ccc1C(C)(C)C - Molecular Weight1
- 354.44
- 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° | -134.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -557.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.12 | kJ/mol | Joback Calculated Property |
| log10WS | -6.43 | Crippen Calculated Property | |
| logPoct/wat | 5.079 | Crippen Calculated Property | |
| McVol | 288.200 | ml/mol | McGowan Calculated Property |
| Pc | 1477.02 | kPa | Joback Calculated Property |
| Inp | [2462.00; 2462.00] |
|
|
| Inp | 2462.00 | NIST | |
| Inp | 2462.00 | NIST | |
| Tboil | 920.41 | K | Joback Calculated Property |
| Tc | 1150.27 | K | Joback Calculated Property |
| Tfus | 574.84 | K | Joback Calculated Property |
| Vc | 1.089 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [896.28; 963.70] | J/mol×K | [920.41; 1150.27] |
|
| Cp,gas | 896.28 | J/mol×K | 920.41 | Joback Calculated Property |
| Cp,gas | 910.66 | J/mol×K | 958.72 | Joback Calculated Property |
| Cp,gas | 923.71 | J/mol×K | 997.03 | Joback Calculated Property |
| Cp,gas | 935.47 | J/mol×K | 1035.34 | Joback Calculated Property |
| Cp,gas | 946.02 | J/mol×K | 1073.65 | Joback Calculated Property |
| Cp,gas | 955.41 | J/mol×K | 1111.96 | Joback Calculated Property |
| Cp,gas | 963.70 | J/mol×K | 1150.27 | Joback Calculated Property |
| η | [0.0000340; 0.0002884] | Pa×s | [574.84; 920.41] |
|
| η | 0.0002884 | Pa×s | 574.84 | Joback Calculated Property |
| η | 0.0001717 | Pa×s | 632.44 | Joback Calculated Property |
| η | 0.0001115 | Pa×s | 690.03 | Joback Calculated Property |
| η | 0.0000774 | Pa×s | 747.62 | Joback Calculated Property |
| η | 0.0000566 | Pa×s | 805.22 | Joback Calculated Property |
| η | 0.0000431 | Pa×s | 862.82 | Joback Calculated Property |
| η | 0.0000340 | Pa×s | 920.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, propyl 2-tert-butyl-6-methylphenyl ester.
Sources
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