- InChI
- InChI=1S/C24H38O4/c1-6-19(7-2)14-15-22(8-3)28-24(26)21-13-9-12-20(17-21)23(25)27-16-10-11-18(4)5/h9,12-13,17-19,22H,6-8,10-11,14-16H2,1-5H3
- InChI Key
- RYKVEEOGIKQZSH-UHFFFAOYSA-N
- Formula
- C24H38O4
- SMILES
-
CCC(CC)CCC(CC)OC(=O)c1cccc(C(=
O)OCCCC(C)C)c1 - Molecular Weight1
- 390.56
- 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° | -221.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -819.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.10 | kJ/mol | Joback Calculated Property |
| log10WS | -7.45 | Crippen Calculated Property | |
| logPoct/wat | 6.431 | Crippen Calculated Property | |
| McVol | 340.140 | ml/mol | McGowan Calculated Property |
| Pc | 1047.33 | kPa | Joback Calculated Property |
| Inp | [2704.00; 2704.00] |
|
|
| Inp | 2704.00 | NIST | |
| Inp | 2704.00 | NIST | |
| Tboil | 931.44 | K | Joback Calculated Property |
| Tc | 1142.65 | K | Joback Calculated Property |
| Tfus | 498.50 | K | Joback Calculated Property |
| Vc | 1.302 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1120.72; 1202.41] | J/mol×K | [931.44; 1142.65] |
|
| Cp,gas | 1120.72 | J/mol×K | 931.44 | Joback Calculated Property |
| Cp,gas | 1137.76 | J/mol×K | 966.64 | Joback Calculated Property |
| Cp,gas | 1153.38 | J/mol×K | 1001.84 | Joback Calculated Property |
| Cp,gas | 1167.62 | J/mol×K | 1037.04 | Joback Calculated Property |
| Cp,gas | 1180.51 | J/mol×K | 1072.25 | Joback Calculated Property |
| Cp,gas | 1192.10 | J/mol×K | 1107.45 | Joback Calculated Property |
| Cp,gas | 1202.41 | J/mol×K | 1142.65 | Joback Calculated Property |
| η | [0.0000234; 0.0005581] | Pa×s | [498.50; 931.44] |
|
| η | 0.0005581 | Pa×s | 498.50 | Joback Calculated Property |
| η | 0.0002354 | Pa×s | 570.66 | Joback Calculated Property |
| η | 0.0001206 | Pa×s | 642.81 | Joback Calculated Property |
| η | 0.0000707 | Pa×s | 714.97 | Joback Calculated Property |
| η | 0.0000457 | Pa×s | 787.13 | Joback Calculated Property |
| η | 0.0000318 | Pa×s | 859.28 | Joback Calculated Property |
| η | 0.0000234 | Pa×s | 931.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 6-ethyloct-3-yl isohexyl ester.
Sources
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