- InChI
- InChI=1S/C20H28O4/c1-13(2)12-23-19(21)16-6-5-7-17(11-16)20(22)24-18-9-14(3)8-15(4)10-18/h5-7,11,13-15,18H,8-10,12H2,1-4H3
- InChI Key
- GIJDEOZGCPXDBG-UHFFFAOYSA-N
- Formula
- C20H28O4
- SMILES
-
CC(C)COC(=O)c1cccc(C(=O)OC2CC(
C)CC(C)C2)c1 - Molecular Weight1
- 332.43
- 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° | -240.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -712.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.79 | kJ/mol | Joback Calculated Property |
| log10WS | -5.42 | Crippen Calculated Property | |
| logPoct/wat | 4.481 | Crippen Calculated Property | |
| McVol | 272.920 | ml/mol | McGowan Calculated Property |
| Pc | 1498.83 | kPa | Joback Calculated Property |
| Inp | [2479.00; 2479.00] |
|
|
| Inp | 2479.00 | NIST | |
| Inp | 2479.00 | NIST | |
| Tboil | 851.01 | K | Joback Calculated Property |
| Tc | 1072.70 | K | Joback Calculated Property |
| Tfus | 482.32 | K | Joback Calculated Property |
| Vc | 1.020 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [881.13; 964.51] | J/mol×K | [851.01; 1072.70] |
|
| Cp,gas | 881.13 | J/mol×K | 851.01 | Joback Calculated Property |
| Cp,gas | 899.09 | J/mol×K | 887.96 | Joback Calculated Property |
| Cp,gas | 915.40 | J/mol×K | 924.91 | Joback Calculated Property |
| Cp,gas | 930.08 | J/mol×K | 961.85 | Joback Calculated Property |
| Cp,gas | 943.15 | J/mol×K | 998.80 | Joback Calculated Property |
| Cp,gas | 954.63 | J/mol×K | 1035.75 | Joback Calculated Property |
| Cp,gas | 964.51 | J/mol×K | 1072.70 | Joback Calculated Property |
| η | [0.0000870; 0.0008820] | Pa×s | [482.32; 851.01] |
|
| η | 0.0008820 | Pa×s | 482.32 | Joback Calculated Property |
| η | 0.0004820 | Pa×s | 543.77 | Joback Calculated Property |
| η | 0.0002978 | Pa×s | 605.22 | Joback Calculated Property |
| η | 0.0002011 | Pa×s | 666.66 | Joback Calculated Property |
| η | 0.0001451 | Pa×s | 728.11 | Joback Calculated Property |
| η | 0.0001101 | Pa×s | 789.56 | Joback Calculated Property |
| η | 0.0000870 | Pa×s | 851.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3,5-dimethylcyclohexyl isobutyl ester.
Sources
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