- InChI
- InChI=1S/C20H28O4/c1-5-23-18(21)14-7-6-8-15(13-14)19(22)24-17-11-9-16(10-12-17)20(2,3)4/h6-8,13,16-17H,5,9-12H2,1-4H3
- InChI Key
- VVUIPGBCVVHFEF-UHFFFAOYSA-N
- Formula
- C20H28O4
- SMILES
-
CCOC(=O)c1cccc(C(=O)OC2CCC(C(C
)(C)C)CC2)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° | -227.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -695.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.19 | 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 | 1551.22 | kPa | Joback Calculated Property |
| Inp | [2501.00; 2501.00] |
|
|
| Inp | 2501.00 | NIST | |
| Inp | 2501.00 | NIST | |
| Tboil | 852.89 | K | Joback Calculated Property |
| Tc | 1080.23 | K | Joback Calculated Property |
| Tfus | 503.98 | K | Joback Calculated Property |
| Vc | 1.016 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [877.69; 961.18] | J/mol×K | [852.89; 1080.23] |
|
| Cp,gas | 877.69 | J/mol×K | 852.89 | Joback Calculated Property |
| Cp,gas | 895.44 | J/mol×K | 890.78 | Joback Calculated Property |
| Cp,gas | 911.59 | J/mol×K | 928.67 | Joback Calculated Property |
| Cp,gas | 926.18 | J/mol×K | 966.56 | Joback Calculated Property |
| Cp,gas | 939.28 | J/mol×K | 1004.45 | Joback Calculated Property |
| Cp,gas | 950.93 | J/mol×K | 1042.34 | Joback Calculated Property |
| Cp,gas | 961.18 | J/mol×K | 1080.23 | Joback Calculated Property |
| η | [0.0000579; 0.0006766] | Pa×s | [503.98; 852.89] |
|
| η | 0.0006766 | Pa×s | 503.98 | Joback Calculated Property |
| η | 0.0003633 | Pa×s | 562.13 | Joback Calculated Property |
| η | 0.0002192 | Pa×s | 620.28 | Joback Calculated Property |
| η | 0.0001442 | Pa×s | 678.43 | Joback Calculated Property |
| η | 0.0001014 | Pa×s | 736.59 | Joback Calculated Property |
| η | 0.0000750 | Pa×s | 794.74 | Joback Calculated Property |
| η | 0.0000579 | Pa×s | 852.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, ethyl 4-tert-butylcyclohexyl ester.
Sources
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