- InChI
- InChI=1S/C26H26O4/c1-2-3-4-10-18-29-25(27)21-14-11-15-22(19-21)26(28)30-24-17-9-8-16-23(24)20-12-6-5-7-13-20/h5-9,11-17,19H,2-4,10,18H2,1H3
- InChI Key
- WGKHSRDIIIQRBS-UHFFFAOYSA-N
- Formula
- C26H26O4
- SMILES
-
CCCCCCOC(=O)c1cccc(C(=O)Oc2ccc
cc2-c2ccccc2)c1 - Molecular Weight1
- 402.48
- 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° | 18.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -382.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.93 | kJ/mol | Joback Calculated Property |
| log10WS | -8.50 | Crippen Calculated Property | |
| logPoct/wat | 6.310 | Crippen Calculated Property | |
| McVol | 320.800 | ml/mol | McGowan Calculated Property |
| Pc | 1414.37 | kPa | Joback Calculated Property |
| Inp | [3220.00; 3220.00] |
|
|
| Inp | 3220.00 | NIST | |
| Inp | 3220.00 | NIST | |
| Tboil | 1036.86 | K | Joback Calculated Property |
| Tc | 1281.06 | K | Joback Calculated Property |
| Tfus | 631.40 | K | Joback Calculated Property |
| Vc | 1.216 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1026.16; 1076.26] | J/mol×K | [1036.86; 1281.06] |
|
| Cp,gas | 1026.16 | J/mol×K | 1036.86 | Joback Calculated Property |
| Cp,gas | 1038.00 | J/mol×K | 1077.56 | Joback Calculated Property |
| Cp,gas | 1048.33 | J/mol×K | 1118.26 | Joback Calculated Property |
| Cp,gas | 1057.25 | J/mol×K | 1158.96 | Joback Calculated Property |
| Cp,gas | 1064.82 | J/mol×K | 1199.66 | Joback Calculated Property |
| Cp,gas | 1071.13 | J/mol×K | 1240.36 | Joback Calculated Property |
| Cp,gas | 1076.26 | J/mol×K | 1281.06 | Joback Calculated Property |
| η | [0.0000252; 0.0002195] | Pa×s | [631.40; 1036.86] |
|
| η | 0.0002195 | Pa×s | 631.40 | Joback Calculated Property |
| η | 0.0001286 | Pa×s | 698.98 | Joback Calculated Property |
| η | 0.0000827 | Pa×s | 766.55 | Joback Calculated Property |
| η | 0.0000572 | Pa×s | 834.13 | Joback Calculated Property |
| η | 0.0000418 | Pa×s | 901.71 | Joback Calculated Property |
| η | 0.0000319 | Pa×s | 969.28 | Joback Calculated Property |
| η | 0.0000252 | Pa×s | 1036.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-biphenyl hexyl ester.
Sources
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