- InChI
- InChI=1S/C22H34O4/c1-6-17(7-2)12-13-20(8-3)26-22(24)19-11-9-10-18(14-19)21(23)25-15-16(4)5/h9-11,14,16-17,20H,6-8,12-13,15H2,1-5H3
- InChI Key
- ZZBOJSXLHFXCSA-UHFFFAOYSA-N
- Formula
- C22H34O4
- SMILES
-
CCC(CC)CCC(CC)OC(=O)c1cccc(C(=
O)OCC(C)C)c1 - Molecular Weight1
- 362.50
- 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° | -238.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -777.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.65 | kJ/mol | Joback Calculated Property |
| log10WS | -6.61 | Crippen Calculated Property | |
| logPoct/wat | 5.651 | Crippen Calculated Property | |
| McVol | 311.960 | ml/mol | McGowan Calculated Property |
| Pc | 1190.70 | kPa | Joback Calculated Property |
| Inp | [2500.00; 2500.00] |
|
|
| Inp | 2500.00 | NIST | |
| Inp | 2500.00 | NIST | |
| Tboil | 885.68 | K | Joback Calculated Property |
| Tc | 1092.54 | K | Joback Calculated Property |
| Tfus | 475.96 | K | Joback Calculated Property |
| Vc | 1.190 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [998.73; 1080.41] | J/mol×K | [885.68; 1092.54] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 1000 1020 1040 1060 1080 900 950 1000 1050 | ||||
| Cp,gas | 998.73 | J/mol×K | 885.68 | Joback Calculated Property |
| Cp,gas | 1015.52 | J/mol×K | 920.16 | Joback Calculated Property |
| Cp,gas | 1031.00 | J/mol×K | 954.63 | Joback Calculated Property |
| Cp,gas | 1045.19 | J/mol×K | 989.11 | Joback Calculated Property |
| Cp,gas | 1058.14 | J/mol×K | 1023.59 | Joback Calculated Property |
| Cp,gas | 1069.87 | J/mol×K | 1058.07 | Joback Calculated Property |
| Cp,gas | 1080.41 | J/mol×K | 1092.54 | Joback Calculated Property |
| η | [0.0000315; 0.0007173] | Pa×s | [475.96; 885.68] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 1.00e-4 2.00e-4 3.00e-4 4.00e-4 5.00e-4 6.00e-4 7.00e-4 500 600 700 800 | ||||
| η | 0.0007173 | Pa×s | 475.96 | Joback Calculated Property |
| η | 0.0003074 | Pa×s | 544.25 | Joback Calculated Property |
| η | 0.0001592 | Pa×s | 612.53 | Joback Calculated Property |
| η | 0.0000940 | Pa×s | 680.82 | Joback Calculated Property |
| η | 0.0000611 | Pa×s | 749.11 | Joback Calculated Property |
| η | 0.0000427 | Pa×s | 817.39 | Joback Calculated Property |
| η | 0.0000315 | Pa×s | 885.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 6-ethyloct-3-yl isobutyl ester.
Sources
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