- InChI
- InChI=1S/C28H46O4/c1-7-21(8-2)16-18-25(11-5)31-27(29)23-14-13-15-24(20-23)28(30)32-26(12-6)19-17-22(9-3)10-4/h13-15,20-22,25-26H,7-12,16-19H2,1-6H3
- InChI Key
- VFWKKILWHHEGHO-UHFFFAOYSA-N
- Formula
- C28H46O4
- SMILES
-
CCC(CC)CCC(CC)OC(=O)c1cccc(C(=
O)OC(CC)CCC(CC)CC)c1 - Molecular Weight1
- 446.66
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- IE : Ionization energy (eV).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1065.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 7.990 | Crippen Calculated Property | |
| McVol | 396.500 | ml/mol | McGowan Calculated Property |
| Pc | 794.39 | kPa | Joback Calculated Property |
| Inp | [2943.00; 2943.00] |
|
|
| Inp | 2943.00 | NIST | |
| Inp | 2943.00 | NIST | |
| Tboil | 686.85 | K | Relay (1.0) Calculated Property |
| Tc | 889.97 | K | Relay (1.0) Calculated Property |
| Tfus | 253.27 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1354.06; 1434.43] | J/mol×K | [986.58; 1208.15] |
|
| Cp,gas | 1354.06 | J/mol×K | 986.58 | Joback Calculated Property |
| Cp,gas | 1371.70 | J/mol×K | 1023.51 | Joback Calculated Property |
| Cp,gas | 1387.56 | J/mol×K | 1060.44 | Joback Calculated Property |
| Cp,gas | 1401.70 | J/mol×K | 1097.37 | Joback Calculated Property |
| Cp,gas | 1414.19 | J/mol×K | 1134.30 | Joback Calculated Property |
| Cp,gas | 1425.07 | J/mol×K | 1171.22 | Joback Calculated Property |
| Cp,gas | 1434.43 | J/mol×K | 1208.15 | Joback Calculated Property |
| η | [0.0000086; 0.0006485] | Pa×s | [468.92; 986.58] |
|
| η | 0.0006485 | Pa×s | 468.92 | Joback Calculated Property |
| η | 0.0001805 | Pa×s | 555.20 | Joback Calculated Property |
| η | 0.0000708 | Pa×s | 641.47 | Joback Calculated Property |
| η | 0.0000347 | Pa×s | 727.75 | Joback Calculated Property |
| η | 0.0000198 | Pa×s | 814.03 | Joback Calculated Property |
| η | 0.0000126 | Pa×s | 900.30 | Joback Calculated Property |
| η | 0.0000086 | Pa×s | 986.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, di(6-ethyloct-3-yl) ester.
Sources
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