- InChI
- InChI=1S/C18H26O4/c1-13(2)12-21-17(19)10-5-6-11-18(20)22-16-9-7-8-14(3)15(16)4/h7-9,13H,5-6,10-12H2,1-4H3
- InChI Key
- WLAAZWPBTZUWOS-UHFFFAOYSA-N
- Formula
- C18H26O4
- SMILES
-
Cc1cccc(OC(=O)CCCCC(=O)OCC(C)C
)c1C - Molecular Weight1
- 306.40
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -828.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.39 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.968 | Crippen Calculated Property | |
| McVol | 255.600 | ml/mol | McGowan Calculated Property |
| Pc | 1449.04 | kPa | Joback Calculated Property |
| Inp | 2236.00 | NIST | |
| Tboil | 618.82 | K | Relay (1.0) Calculated Property |
| Tc | 820.80 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [748.87; 829.27] | J/mol×K | [764.08; 962.49] | 
|
| Cp,gas | 748.87 | J/mol×K | 764.08 | Joback Calculated Property |
| Cp,gas | 765.03 | J/mol×K | 797.15 | Joback Calculated Property |
| Cp,gas | 780.07 | J/mol×K | 830.22 | Joback Calculated Property |
| Cp,gas | 794.00 | J/mol×K | 863.29 | Joback Calculated Property |
| Cp,gas | 806.83 | J/mol×K | 896.36 | Joback Calculated Property |
| Cp,gas | 818.59 | J/mol×K | 929.43 | Joback Calculated Property |
| Cp,gas | 829.27 | J/mol×K | 962.49 | Joback Calculated Property |
| η | [0.0000523; 0.0011049] | Pa×s | [413.74; 764.08] |
|
| η | 0.0011049 | Pa×s | 413.74 | Joback Calculated Property |
| η | 0.0004851 | Pa×s | 472.13 | Joback Calculated Property |
| η | 0.0002553 | Pa×s | 530.52 | Joback Calculated Property |
| η | 0.0001526 | Pa×s | 588.91 | Joback Calculated Property |
| η | 0.0001001 | Pa×s | 647.30 | Joback Calculated Property |
| η | 0.0000704 | Pa×s | 705.69 | Joback Calculated Property |
| η | 0.0000523 | Pa×s | 764.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 2,3-dimethylphenyl isobutyl ester.
Sources
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