- InChI
- InChI=1S/C23H28O4/c1-4-9-18-11-5-6-14-21(18)27-23(25)20-13-7-12-19(16-20)22(24)26-15-8-10-17(2)3/h5-7,11-14,16-17H,4,8-10,15H2,1-3H3
- InChI Key
- NLFDMCCBRRFAPQ-UHFFFAOYSA-N
- Formula
- C23H28O4
- SMILES
-
CCCc1ccccc1OC(=O)c1cccc(C(=O)O
CCCC(C)C)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° | -121.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -562.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.59 | kJ/mol | Joback Calculated Property |
| log10WS | -6.87 | Crippen Calculated Property | |
| logPoct/wat | 5.451 | Crippen Calculated Property | |
| McVol | 302.290 | ml/mol | McGowan Calculated Property |
| Pc | 1377.86 | kPa | Joback Calculated Property |
| Inp | [2719.00; 2719.00] |
|
|
| Inp | 2719.00 | NIST | |
| Inp | 2719.00 | NIST | |
| Tboil | 941.10 | K | Joback Calculated Property |
| Tc | 1165.57 | K | Joback Calculated Property |
| Tfus | 556.17 | K | Joback Calculated Property |
| Vc | 1.149 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [956.42; 1022.27] | J/mol×K | [941.10; 1165.57] |
|
| Cp,gas | 956.42 | J/mol×K | 941.10 | Joback Calculated Property |
| Cp,gas | 970.76 | J/mol×K | 978.51 | Joback Calculated Property |
| Cp,gas | 983.70 | J/mol×K | 1015.92 | Joback Calculated Property |
| Cp,gas | 995.28 | J/mol×K | 1053.33 | Joback Calculated Property |
| Cp,gas | 1005.54 | J/mol×K | 1090.75 | Joback Calculated Property |
| Cp,gas | 1014.52 | J/mol×K | 1128.16 | Joback Calculated Property |
| Cp,gas | 1022.27 | J/mol×K | 1165.57 | Joback Calculated Property |
| η | [0.0000343; 0.0003644] | Pa×s | [556.17; 941.10] |
|
| η | 0.0003644 | Pa×s | 556.17 | Joback Calculated Property |
| η | 0.0002004 | Pa×s | 620.33 | Joback Calculated Property |
| η | 0.0001233 | Pa×s | 684.48 | Joback Calculated Property |
| η | 0.0000824 | Pa×s | 748.63 | Joback Calculated Property |
| η | 0.0000587 | Pa×s | 812.79 | Joback Calculated Property |
| η | 0.0000440 | Pa×s | 876.94 | Joback Calculated Property |
| η | 0.0000343 | Pa×s | 941.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, isohexyl 2-propylphenyl ester.
Sources
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