- InChI
- InChI=1S/C20H22O4/c1-13(2)12-23-19(21)16-6-5-7-17(11-16)20(22)24-18-9-8-14(3)15(4)10-18/h5-11,13H,12H2,1-4H3
- InChI Key
- ZFOXOZRSIGJWTN-UHFFFAOYSA-N
- Formula
- C20H22O4
- SMILES
-
Cc1ccc(OC(=O)c2cccc(C(=O)OCC(C
)C)c2)cc1C - Molecular Weight1
- 326.39
- 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° | -156.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -512.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.58 | kJ/mol | Joback Calculated Property |
| log10WS | -5.77 | Crippen Calculated Property | |
| logPoct/wat | 4.335 | Crippen Calculated Property | |
| McVol | 260.020 | ml/mol | McGowan Calculated Property |
| Pc | 1706.12 | kPa | Joback Calculated Property |
| Inp | [2630.00; 2630.00] |
|
|
| Inp | 2630.00 | NIST | |
| Inp | 2630.00 | NIST | |
| Tboil | 877.44 | K | Joback Calculated Property |
| Tc | 1105.63 | K | Joback Calculated Property |
| Tfus | 534.88 | K | Joback Calculated Property |
| Vc | 0.982 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [779.75; 844.97] | J/mol×K | [877.44; 1105.63] |
|
| Cp,gas | 779.75 | J/mol×K | 877.44 | Joback Calculated Property |
| Cp,gas | 793.89 | J/mol×K | 915.47 | Joback Calculated Property |
| Cp,gas | 806.69 | J/mol×K | 953.50 | Joback Calculated Property |
| Cp,gas | 818.17 | J/mol×K | 991.53 | Joback Calculated Property |
| Cp,gas | 828.36 | J/mol×K | 1029.57 | Joback Calculated Property |
| Cp,gas | 837.29 | J/mol×K | 1067.60 | Joback Calculated Property |
| Cp,gas | 844.97 | J/mol×K | 1105.63 | Joback Calculated Property |
| η | [0.0000530; 0.0004344] | Pa×s | [534.88; 877.44] |
|
| η | 0.0004344 | Pa×s | 534.88 | Joback Calculated Property |
| η | 0.0002584 | Pa×s | 591.97 | Joback Calculated Property |
| η | 0.0001684 | Pa×s | 649.07 | Joback Calculated Property |
| η | 0.0001176 | Pa×s | 706.16 | Joback Calculated Property |
| η | 0.0000867 | Pa×s | 763.25 | Joback Calculated Property |
| η | 0.0000667 | Pa×s | 820.35 | Joback Calculated Property |
| η | 0.0000530 | Pa×s | 877.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3,4-dimethylphenyl isobutyl ester.
Sources
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