- 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).
- 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° | -189.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -906.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.62 | kJ/mol | Joback Calculated Property |
| log10WS | -9.23 | Crippen Calculated Property | |
| logPoct/wat | 7.990 | Crippen Calculated Property | |
| McVol | 396.500 | ml/mol | McGowan Calculated Property |
| Pc | 832.42 | kPa | Joback Calculated Property |
| Inp | [2943.00; 2943.00] |
|
|
| Inp | 2943.00 | NIST | |
| Inp | 2943.00 | NIST | |
| Tboil | 1022.52 | K | Joback Calculated Property |
| Tc | 1253.03 | K | Joback Calculated Property |
| Tfus | 528.58 | K | Joback Calculated Property |
| Vc | 1.520 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1370.70; 1451.20] | J/mol×K | [1022.52; 1253.03] |
|
| Cp,gas | 1370.70 | J/mol×K | 1022.52 | Joback Calculated Property |
| Cp,gas | 1388.35 | J/mol×K | 1060.94 | Joback Calculated Property |
| Cp,gas | 1404.22 | J/mol×K | 1099.36 | Joback Calculated Property |
| Cp,gas | 1418.37 | J/mol×K | 1137.77 | Joback Calculated Property |
| Cp,gas | 1430.88 | J/mol×K | 1176.19 | Joback Calculated Property |
| Cp,gas | 1441.80 | J/mol×K | 1214.61 | Joback Calculated Property |
| Cp,gas | 1451.20 | J/mol×K | 1253.03 | Joback Calculated Property |
| η | [0.0000114; 0.0003741] | Pa×s | [528.58; 1022.52] |
|
| η | 0.0003741 | Pa×s | 528.58 | Joback Calculated Property |
| η | 0.0001414 | Pa×s | 610.90 | Joback Calculated Property |
| η | 0.0000673 | Pa×s | 693.23 | Joback Calculated Property |
| η | 0.0000375 | Pa×s | 775.55 | Joback Calculated Property |
| η | 0.0000234 | Pa×s | 857.87 | Joback Calculated Property |
| η | 0.0000158 | Pa×s | 940.20 | Joback Calculated Property |
| η | 0.0000114 | Pa×s | 1022.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, di(6-ethyloct-3-yl) ester.
Sources
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