- InChI
- InChI=1S/C22H26O4/c1-4-5-6-7-13-25-21(23)18-9-8-10-19(15-18)22(24)26-20-14-16(2)11-12-17(20)3/h8-12,14-15H,4-7,13H2,1-3H3
- InChI Key
- UASCUGCCPFDALB-UHFFFAOYSA-N
- Formula
- C22H26O4
- SMILES
-
CCCCCCOC(=O)c1cccc(C(=O)Oc2cc(
C)ccc2C)c1 - Molecular Weight1
- 354.44
- 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° | -137.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -548.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.42 | kJ/mol | Joback Calculated Property |
| log10WS | -6.85 | Crippen Calculated Property | |
| logPoct/wat | 5.260 | Crippen Calculated Property | |
| McVol | 288.200 | ml/mol | McGowan Calculated Property |
| Pc | 1455.68 | kPa | Joback Calculated Property |
| Inp | [2837.00; 2837.00] |
|
|
| Inp | 2837.00 | NIST | |
| Inp | 2837.00 | NIST | |
| Tboil | 923.64 | K | Joback Calculated Property |
| Tc | 1146.93 | K | Joback Calculated Property |
| Tfus | 572.42 | K | Joback Calculated Property |
| Vc | 1.099 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [895.70; 960.67] | J/mol×K | [923.64; 1146.93] |
|
| Cp,gas | 895.70 | J/mol×K | 923.64 | Joback Calculated Property |
| Cp,gas | 909.81 | J/mol×K | 960.86 | Joback Calculated Property |
| Cp,gas | 922.57 | J/mol×K | 998.07 | Joback Calculated Property |
| Cp,gas | 934.00 | J/mol×K | 1035.29 | Joback Calculated Property |
| Cp,gas | 944.15 | J/mol×K | 1072.50 | Joback Calculated Property |
| Cp,gas | 953.03 | J/mol×K | 1109.72 | Joback Calculated Property |
| Cp,gas | 960.67 | J/mol×K | 1146.93 | Joback Calculated Property |
| η | [0.0000442; 0.0003310] | Pa×s | [572.42; 923.64] |
|
| η | 0.0003310 | Pa×s | 572.42 | Joback Calculated Property |
| η | 0.0002025 | Pa×s | 630.96 | Joback Calculated Property |
| η | 0.0001347 | Pa×s | 689.49 | Joback Calculated Property |
| η | 0.0000955 | Pa×s | 748.03 | Joback Calculated Property |
| η | 0.0000711 | Pa×s | 806.57 | Joback Calculated Property |
| η | 0.0000552 | Pa×s | 865.10 | Joback Calculated Property |
| η | 0.0000442 | Pa×s | 923.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2,5-dimethylphenyl hexyl ester.
Sources
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