- InChI
- InChI=1S/C20H28O4/c1-4-5-9-23-19(21)16-7-6-8-17(13-16)20(22)24-18-11-14(2)10-15(3)12-18/h6-8,13-15,18H,4-5,9-12H2,1-3H3
- InChI Key
- NEOOEABWSNGRLC-UHFFFAOYSA-N
- Formula
- C20H28O4
- SMILES
-
CCCCOC(=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° | -238.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -707.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.17 | kJ/mol | Joback Calculated Property |
| log10WS | -5.67 | Crippen Calculated Property | |
| logPoct/wat | 4.625 | Crippen Calculated Property | |
| McVol | 272.920 | ml/mol | McGowan Calculated Property |
| Pc | 1489.58 | kPa | Joback Calculated Property |
| Inp | [2534.00; 2534.00] |
|
|
| Inp | 2534.00 | NIST | |
| Inp | 2534.00 | NIST | |
| Tboil | 851.45 | K | Joback Calculated Property |
| Tc | 1070.31 | K | Joback Calculated Property |
| Tfus | 497.32 | K | Joback Calculated Property |
| Vc | 1.026 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [880.62; 963.55] | J/mol×K | [851.45; 1070.31] |
|
| Cp,gas | 880.62 | J/mol×K | 851.45 | Joback Calculated Property |
| Cp,gas | 898.37 | J/mol×K | 887.93 | Joback Calculated Property |
| Cp,gas | 914.53 | J/mol×K | 924.40 | Joback Calculated Property |
| Cp,gas | 929.11 | J/mol×K | 960.88 | Joback Calculated Property |
| Cp,gas | 942.13 | J/mol×K | 997.35 | Joback Calculated Property |
| Cp,gas | 953.60 | J/mol×K | 1033.83 | Joback Calculated Property |
| Cp,gas | 963.55 | J/mol×K | 1070.31 | Joback Calculated Property |
| η | [0.0000950; 0.0007954] | Pa×s | [497.32; 851.45] |
|
| η | 0.0007954 | Pa×s | 497.32 | Joback Calculated Property |
| η | 0.0004626 | Pa×s | 556.34 | Joback Calculated Property |
| η | 0.0002985 | Pa×s | 615.36 | Joback Calculated Property |
| η | 0.0002079 | Pa×s | 674.38 | Joback Calculated Property |
| η | 0.0001535 | Pa×s | 733.41 | Joback Calculated Property |
| η | 0.0001186 | Pa×s | 792.43 | Joback Calculated Property |
| η | 0.0000950 | Pa×s | 851.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, butyl 3,5-dimethylcyclohexyl ester.
Sources
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