- InChI
- InChI=1S/C23H28O4/c1-3-5-6-9-16-26-22(24)19-13-10-14-20(17-19)23(25)27-21-15-8-7-12-18(21)11-4-2/h7-8,10,12-15,17H,3-6,9,11,16H2,1-2H3
- InChI Key
- PDKBSWSMSMCNIN-UHFFFAOYSA-N
- Formula
- C23H28O4
- SMILES
-
CCCCCCOC(=O)c1cccc(C(=O)Oc2ccc
cc2CCC)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° | -119.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -557.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.98 | kJ/mol | Joback Calculated Property |
| log10WS | -7.12 | Crippen Calculated Property | |
| logPoct/wat | 5.595 | Crippen Calculated Property | |
| McVol | 302.290 | ml/mol | McGowan Calculated Property |
| Pc | 1369.71 | kPa | Joback Calculated Property |
| Inp | 2761.00 | NIST | |
| Tboil | 941.54 | K | Joback Calculated Property |
| Tc | 1164.15 | K | Joback Calculated Property |
| Tfus | 571.17 | K | Joback Calculated Property |
| Vc | 1.155 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [955.96; 1021.91] | J/mol×K | [941.54; 1164.15] | 
|
| Cp,gas | 955.96 | J/mol×K | 941.54 | Joback Calculated Property |
| Cp,gas | 970.23 | J/mol×K | 978.64 | Joback Calculated Property |
| Cp,gas | 983.14 | J/mol×K | 1015.74 | Joback Calculated Property |
| Cp,gas | 994.72 | J/mol×K | 1052.85 | Joback Calculated Property |
| Cp,gas | 1005.01 | J/mol×K | 1089.95 | Joback Calculated Property |
| Cp,gas | 1014.06 | J/mol×K | 1127.05 | Joback Calculated Property |
| Cp,gas | 1021.91 | J/mol×K | 1164.15 | Joback Calculated Property |
| η | [0.0000376; 0.0003350] | Pa×s | [571.17; 941.54] |
|
| η | 0.0003350 | Pa×s | 571.17 | Joback Calculated Property |
| η | 0.0001947 | Pa×s | 632.90 | Joback Calculated Property |
| η | 0.0001247 | Pa×s | 694.63 | Joback Calculated Property |
| η | 0.0000858 | Pa×s | 756.36 | Joback Calculated Property |
| η | 0.0000625 | Pa×s | 818.08 | Joback Calculated Property |
| η | 0.0000476 | Pa×s | 879.81 | Joback Calculated Property |
| η | 0.0000376 | Pa×s | 941.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, hexyl 2-propylphenyl ester.
Sources
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