- InChI
- InChI=1S/C22H26O4/c1-4-5-6-14-25-21(23)18-8-7-9-19(15-18)22(24)26-20-12-10-17(11-13-20)16(2)3/h7-13,15-16H,4-6,14H2,1-3H3
- InChI Key
- KDXQVXSQAPZNAQ-UHFFFAOYSA-N
- Formula
- C22H26O4
- SMILES
-
CCCCCOC(=O)c1cccc(C(=O)Oc2ccc(
C(C)C)cc2)c1 - 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° | -130.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -542.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.37 | kJ/mol | Joback Calculated Property |
| log10WS | -6.66 | Crippen Calculated Property | |
| logPoct/wat | 5.376 | Crippen Calculated Property | |
| McVol | 288.200 | ml/mol | McGowan Calculated Property |
| Pc | 1481.57 | kPa | Joback Calculated Property |
| Inp | [2876.00; 2876.00] |
|
|
| Inp | 2876.00 | NIST | |
| Inp | 2876.00 | NIST | |
| Tboil | 918.22 | K | Joback Calculated Property |
| Tc | 1142.92 | K | Joback Calculated Property |
| Tfus | 544.90 | K | Joback Calculated Property |
| Vc | 1.093 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [897.27; 963.35] | J/mol×K | [918.22; 1142.92] |
|
| Cp,gas | 897.27 | J/mol×K | 918.22 | Joback Calculated Property |
| Cp,gas | 911.59 | J/mol×K | 955.67 | Joback Calculated Property |
| Cp,gas | 924.54 | J/mol×K | 993.12 | Joback Calculated Property |
| Cp,gas | 936.15 | J/mol×K | 1030.57 | Joback Calculated Property |
| Cp,gas | 946.47 | J/mol×K | 1068.02 | Joback Calculated Property |
| Cp,gas | 955.52 | J/mol×K | 1105.47 | Joback Calculated Property |
| Cp,gas | 963.35 | J/mol×K | 1142.92 | Joback Calculated Property |
| η | [0.0000395; 0.0004055] | Pa×s | [544.90; 918.22] |
|
| η | 0.0004055 | Pa×s | 544.90 | Joback Calculated Property |
| η | 0.0002255 | Pa×s | 607.12 | Joback Calculated Property |
| η | 0.0001398 | Pa×s | 669.34 | Joback Calculated Property |
| η | 0.0000941 | Pa×s | 731.56 | Joback Calculated Property |
| η | 0.0000673 | Pa×s | 793.78 | Joback Calculated Property |
| η | 0.0000506 | Pa×s | 856.00 | Joback Calculated Property |
| η | 0.0000395 | Pa×s | 918.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 4-isopropylphenyl pentyl ester.
Sources
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