- InChI
- InChI=1S/C21H30O4/c1-15(2)8-7-13-24-20(22)17-10-6-11-18(14-17)21(23)25-19-12-5-4-9-16(19)3/h6,10-11,14-16,19H,4-5,7-9,12-13H2,1-3H3
- InChI Key
- BZIQKXGWONQDKW-UHFFFAOYSA-N
- Formula
- C21H30O4
- SMILES
-
CC(C)CCCOC(=O)c1cccc(C(=O)OC2C
CCCC2C)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° | -224.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -712.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.32 | kJ/mol | Joback Calculated Property |
| log10WS | -6.08 | Crippen Calculated Property | |
| logPoct/wat | 5.015 | Crippen Calculated Property | |
| McVol | 287.010 | ml/mol | McGowan Calculated Property |
| Pc | 1428.30 | kPa | Joback Calculated Property |
| Inp | [2613.00; 2613.00] |
|
|
| Inp | 2613.00 | NIST | |
| Inp | 2613.00 | NIST | |
| Tboil | 878.56 | K | Joback Calculated Property |
| Tc | 1098.94 | K | Joback Calculated Property |
| Tfus | 497.83 | K | Joback Calculated Property |
| Vc | 1.077 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [937.00; 1017.85] | J/mol×K | [878.56; 1098.94] |
|
| Cp,gas | 937.00 | J/mol×K | 878.56 | Joback Calculated Property |
| Cp,gas | 954.42 | J/mol×K | 915.29 | Joback Calculated Property |
| Cp,gas | 970.22 | J/mol×K | 952.02 | Joback Calculated Property |
| Cp,gas | 984.44 | J/mol×K | 988.75 | Joback Calculated Property |
| Cp,gas | 997.10 | J/mol×K | 1025.48 | Joback Calculated Property |
| Cp,gas | 1008.23 | J/mol×K | 1062.21 | Joback Calculated Property |
| Cp,gas | 1017.85 | J/mol×K | 1098.94 | Joback Calculated Property |
| η | [0.0000587; 0.0007467] | Pa×s | [497.83; 878.56] |
|
| η | 0.0007467 | Pa×s | 497.83 | Joback Calculated Property |
| η | 0.0003846 | Pa×s | 561.28 | Joback Calculated Property |
| η | 0.0002267 | Pa×s | 624.74 | Joback Calculated Property |
| η | 0.0001473 | Pa×s | 688.19 | Joback Calculated Property |
| η | 0.0001030 | Pa×s | 751.65 | Joback Calculated Property |
| η | 0.0000761 | Pa×s | 815.11 | Joback Calculated Property |
| η | 0.0000587 | Pa×s | 878.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, isohexyl 2-methylcyclohexyl ester.
Sources
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