- InChI
- InChI=1S/C23H28O5/c1-4-5-6-9-15-26-22(24)18-11-10-12-19(16-18)23(25)28-21-14-8-7-13-20(21)27-17(2)3/h7-8,10-14,16-17H,4-6,9,15H2,1-3H3
- InChI Key
- CVIDLRAMFVCQQE-UHFFFAOYSA-N
- Formula
- C23H28O5
- SMILES
-
CCCCCCOC(=O)c1cccc(C(=O)Oc2ccc
cc2OC(C)C)c1 - Molecular Weight1
- 384.47
- 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° | -226.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -695.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.00 | kJ/mol | Joback Calculated Property |
| log10WS | -6.96 | Crippen Calculated Property | |
| logPoct/wat | 5.430 | Crippen Calculated Property | |
| McVol | 308.160 | ml/mol | McGowan Calculated Property |
| Pc | 1360.63 | kPa | Joback Calculated Property |
| Inp | [2892.00; 2892.00] |
|
|
| Inp | 2892.00 | NIST | |
| Inp | 2892.00 | NIST | |
| Tboil | 963.52 | K | Joback Calculated Property |
| Tc | 1188.96 | K | Joback Calculated Property |
| Tfus | 578.40 | K | Joback Calculated Property |
| Vc | 1.167 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [983.82; 1041.67] | J/mol×K | [963.52; 1188.96] |
|
| Cp,gas | 983.82 | J/mol×K | 963.52 | Joback Calculated Property |
| Cp,gas | 997.23 | J/mol×K | 1001.09 | Joback Calculated Property |
| Cp,gas | 1009.10 | J/mol×K | 1038.67 | Joback Calculated Property |
| Cp,gas | 1019.45 | J/mol×K | 1076.24 | Joback Calculated Property |
| Cp,gas | 1028.32 | J/mol×K | 1113.81 | Joback Calculated Property |
| Cp,gas | 1035.71 | J/mol×K | 1151.39 | Joback Calculated Property |
| Cp,gas | 1041.67 | J/mol×K | 1188.96 | Joback Calculated Property |
| η | [0.0000255; 0.0002556] | Pa×s | [578.40; 963.52] |
|
| η | 0.0002556 | Pa×s | 578.40 | Joback Calculated Property |
| η | 0.0001436 | Pa×s | 642.59 | Joback Calculated Property |
| η | 0.0000896 | Pa×s | 706.77 | Joback Calculated Property |
| η | 0.0000605 | Pa×s | 770.96 | Joback Calculated Property |
| η | 0.0000434 | Pa×s | 835.15 | Joback Calculated Property |
| η | 0.0000326 | Pa×s | 899.33 | Joback Calculated Property |
| η | 0.0000255 | Pa×s | 963.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, hexyl 2-isopropoxyphenyl ester.
Sources
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