- InChI
- InChI=1S/C21H32O4/c1-14(2)9-8-12-24-20(22)17-10-7-11-18(13-17)21(23)25-19(15(3)4)16(5)6/h7,10-11,13-16,19H,8-9,12H2,1-6H3
- InChI Key
- DQEXJHJXRBVXAG-UHFFFAOYSA-N
- Formula
- C21H32O4
- SMILES
-
CC(C)CCCOC(=O)c1cccc(C(=O)OC(C
(C)C)C(C)C)c1 - Molecular Weight1
- 348.48
- 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° | -248.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -762.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.04 | kJ/mol | Joback Calculated Property |
| log10WS | -5.95 | Crippen Calculated Property | |
| logPoct/wat | 5.117 | Crippen Calculated Property | |
| McVol | 297.870 | ml/mol | McGowan Calculated Property |
| Pc | 1280.99 | kPa | Joback Calculated Property |
| Inp | [2317.00; 2317.00] |
|
|
| Inp | 2317.00 | NIST | |
| Inp | 2317.00 | NIST | |
| Tboil | 862.36 | K | Joback Calculated Property |
| Tc | 1070.10 | K | Joback Calculated Property |
| Tfus | 449.69 | K | Joback Calculated Property |
| Vc | 1.127 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [939.16; 1021.02] | J/mol×K | [862.36; 1070.10] |
|
| Cp,gas | 939.16 | J/mol×K | 862.36 | Joback Calculated Property |
| Cp,gas | 955.95 | J/mol×K | 896.98 | Joback Calculated Property |
| Cp,gas | 971.45 | J/mol×K | 931.61 | Joback Calculated Property |
| Cp,gas | 985.68 | J/mol×K | 966.23 | Joback Calculated Property |
| Cp,gas | 998.67 | J/mol×K | 1000.86 | Joback Calculated Property |
| Cp,gas | 1010.44 | J/mol×K | 1035.48 | Joback Calculated Property |
| Cp,gas | 1021.02 | J/mol×K | 1070.10 | Joback Calculated Property |
| η | [0.0000334; 0.0009632] | Pa×s | [449.69; 862.36] |
|
| η | 0.0009632 | Pa×s | 449.69 | Joback Calculated Property |
| η | 0.0003795 | Pa×s | 518.47 | Joback Calculated Property |
| η | 0.0001859 | Pa×s | 587.25 | Joback Calculated Property |
| η | 0.0001058 | Pa×s | 656.02 | Joback Calculated Property |
| η | 0.0000670 | Pa×s | 724.80 | Joback Calculated Property |
| η | 0.0000459 | Pa×s | 793.58 | Joback Calculated Property |
| η | 0.0000334 | Pa×s | 862.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, isohexyl 1-isopropyl-2-methylpropyl ester.
Sources
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