- InChI
- InChI=1S/C22H26O4/c1-3-5-8-15-25-21(23)18-12-9-13-19(16-18)22(24)26-20-14-7-6-11-17(20)10-4-2/h6-7,9,11-14,16H,3-5,8,10,15H2,1-2H3
- InChI Key
- KHTXNZYSQKSFKL-UHFFFAOYSA-N
- Formula
- C22H26O4
- SMILES
-
CCCCCOC(=O)c1cccc(C(=O)Oc2cccc
c2CCC)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° | -127.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -536.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.75 | kJ/mol | Joback Calculated Property |
| log10WS | -6.70 | Crippen Calculated Property | |
| logPoct/wat | 5.205 | Crippen Calculated Property | |
| McVol | 288.200 | ml/mol | McGowan Calculated Property |
| Pc | 1472.49 | kPa | Joback Calculated Property |
| Inp | [2664.00; 2664.00] |
|
|
| Inp | 2664.00 | NIST | |
| Inp | 2664.00 | NIST | |
| Tboil | 918.66 | K | Joback Calculated Property |
| Tc | 1141.14 | K | Joback Calculated Property |
| Tfus | 559.90 | K | Joback Calculated Property |
| Vc | 1.099 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [896.78; 962.84] | J/mol×K | [918.66; 1141.14] |
|
| Cp,gas | 896.78 | J/mol×K | 918.66 | Joback Calculated Property |
| Cp,gas | 911.00 | J/mol×K | 955.74 | Joback Calculated Property |
| Cp,gas | 923.89 | J/mol×K | 992.82 | Joback Calculated Property |
| Cp,gas | 935.48 | J/mol×K | 1029.90 | Joback Calculated Property |
| Cp,gas | 945.81 | J/mol×K | 1066.98 | Joback Calculated Property |
| Cp,gas | 954.92 | J/mol×K | 1104.06 | Joback Calculated Property |
| Cp,gas | 962.84 | J/mol×K | 1141.14 | Joback Calculated Property |
| η | [0.0000433; 0.0003717] | Pa×s | [559.90; 918.66] |
|
| η | 0.0003717 | Pa×s | 559.90 | Joback Calculated Property |
| η | 0.0002185 | Pa×s | 619.69 | Joback Calculated Property |
| η | 0.0001410 | Pa×s | 679.49 | Joback Calculated Property |
| η | 0.0000977 | Pa×s | 739.28 | Joback Calculated Property |
| η | 0.0000715 | Pa×s | 799.07 | Joback Calculated Property |
| η | 0.0000547 | Pa×s | 858.87 | Joback Calculated Property |
| η | 0.0000433 | Pa×s | 918.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, pentyl 2-propylphenyl ester.
Sources
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