- InChI
- InChI=1S/C23H28O4/c1-16(2)7-6-14-26-22(24)19-8-5-9-20(15-19)23(25)27-21-12-10-18(11-13-21)17(3)4/h5,8-13,15-17H,6-7,14H2,1-4H3
- InChI Key
- DGYHZOVKWIGFLH-UHFFFAOYSA-N
- Formula
- C23H28O4
- SMILES
-
CC(C)CCCOC(=O)c1cccc(C(=O)Oc2c
cc(C(C)C)cc2)c1 - Molecular Weight1
- 368.47
- 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° | -124.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -568.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.20 | kJ/mol | Joback Calculated Property |
| log10WS | -6.84 | Crippen Calculated Property | |
| logPoct/wat | 5.622 | Crippen Calculated Property | |
| McVol | 302.290 | ml/mol | McGowan Calculated Property |
| Pc | 1386.08 | kPa | Joback Calculated Property |
| Inp | [2935.00; 2935.00] |
|
|
| Inp | 2935.00 | NIST | |
| Inp | 2935.00 | NIST | |
| Tboil | 940.66 | K | Joback Calculated Property |
| Tc | 1167.15 | K | Joback Calculated Property |
| Tfus | 541.17 | K | Joback Calculated Property |
| Vc | 1.143 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [956.88; 1022.64] | J/mol×K | [940.66; 1167.15] |
|
| Cp,gas | 956.88 | J/mol×K | 940.66 | Joback Calculated Property |
| Cp,gas | 971.30 | J/mol×K | 978.41 | Joback Calculated Property |
| Cp,gas | 984.28 | J/mol×K | 1016.16 | Joback Calculated Property |
| Cp,gas | 995.86 | J/mol×K | 1053.90 | Joback Calculated Property |
| Cp,gas | 1006.09 | J/mol×K | 1091.65 | Joback Calculated Property |
| Cp,gas | 1015.00 | J/mol×K | 1129.40 | Joback Calculated Property |
| Cp,gas | 1022.64 | J/mol×K | 1167.15 | Joback Calculated Property |
| η | [0.0000312; 0.0004011] | Pa×s | [541.17; 940.66] |
|
| η | 0.0004011 | Pa×s | 541.17 | Joback Calculated Property |
| η | 0.0002076 | Pa×s | 607.75 | Joback Calculated Property |
| η | 0.0001224 | Pa×s | 674.33 | Joback Calculated Property |
| η | 0.0000794 | Pa×s | 740.91 | Joback Calculated Property |
| η | 0.0000553 | Pa×s | 807.50 | Joback Calculated Property |
| η | 0.0000407 | Pa×s | 874.08 | Joback Calculated Property |
| η | 0.0000312 | Pa×s | 940.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, isohexyl 4-isopropylphenyl ester.
Sources
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