- InChI
- InChI=1S/C21H30O4/c1-3-4-5-8-14-24-20(22)17-11-9-12-18(15-17)21(23)25-19-13-7-6-10-16(19)2/h9,11-12,15-16,19H,3-8,10,13-14H2,1-2H3
- InChI Key
- ZASGAFMBSYXEKC-UHFFFAOYSA-N
- Formula
- C21H30O4
- SMILES
-
CCCCCCOC(=O)c1cccc(C(=O)OC2CCC
CC2C)c1 - Molecular Weight1
- 346.46
- 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° | -222.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -707.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.71 | kJ/mol | Joback Calculated Property |
| log10WS | -6.33 | Crippen Calculated Property | |
| logPoct/wat | 5.159 | Crippen Calculated Property | |
| McVol | 287.010 | ml/mol | McGowan Calculated Property |
| Pc | 1419.71 | kPa | Joback Calculated Property |
| Inp | [2662.00; 2662.00] |
|
|
| Inp | 2662.00 | NIST | |
| Inp | 2662.00 | NIST | |
| Tboil | 879.00 | K | Joback Calculated Property |
| Tc | 1096.93 | K | Joback Calculated Property |
| Tfus | 512.83 | K | Joback Calculated Property |
| Vc | 1.083 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [936.51; 1017.06] | J/mol×K | [879.00; 1096.93] |
|
| Cp,gas | 936.51 | J/mol×K | 879.00 | Joback Calculated Property |
| Cp,gas | 953.76 | J/mol×K | 915.32 | Joback Calculated Property |
| Cp,gas | 969.45 | J/mol×K | 951.64 | Joback Calculated Property |
| Cp,gas | 983.59 | J/mol×K | 987.96 | Joback Calculated Property |
| Cp,gas | 996.23 | J/mol×K | 1024.28 | Joback Calculated Property |
| Cp,gas | 1007.37 | J/mol×K | 1060.60 | Joback Calculated Property |
| Cp,gas | 1017.06 | J/mol×K | 1096.93 | Joback Calculated Property |
| η | [0.0000642; 0.0006680] | Pa×s | [512.83; 879.00] |
|
| η | 0.0006680 | Pa×s | 512.83 | Joback Calculated Property |
| η | 0.0003674 | Pa×s | 573.86 | Joback Calculated Property |
| η | 0.0002267 | Pa×s | 634.89 | Joback Calculated Property |
| η | 0.0001522 | Pa×s | 695.91 | Joback Calculated Property |
| η | 0.0001090 | Pa×s | 756.94 | Joback Calculated Property |
| η | 0.0000820 | Pa×s | 817.97 | Joback Calculated Property |
| η | 0.0000642 | Pa×s | 879.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, hexyl 2-methylcyclohexyl ester.
Sources
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