- InChI
- InChI=1S/C22H34O4/c1-17(2)16-25-21(23)11-9-7-5-6-8-10-12-22(24)26-20-15-18(3)13-14-19(20)4/h13-15,17H,5-12,16H2,1-4H3
- InChI Key
- RDEUKMCFXNHEOY-UHFFFAOYSA-N
- Formula
- C22H34O4
- SMILES
-
Cc1ccc(C)c(OC(=O)CCCCCCCCC(=O)
OCC(C)C)c1 - Molecular Weight1
- 362.51
- 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 | -914.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.90 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.529 | Crippen Calculated Property | |
| McVol | 311.960 | ml/mol | McGowan Calculated Property |
| Pc | 1103.01 | kPa | Joback Calculated Property |
| Inp | 2638.00 | NIST | |
| Tboil | 647.96 | K | Relay (1.0) Calculated Property |
| Tc | 849.58 | 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 | [982.87; 1064.55] | J/mol×K | [855.60; 1054.93] | 
|
| Cp,gas | 982.87 | J/mol×K | 855.60 | Joback Calculated Property |
| Cp,gas | 999.64 | J/mol×K | 888.82 | Joback Calculated Property |
| Cp,gas | 1015.11 | J/mol×K | 922.04 | Joback Calculated Property |
| Cp,gas | 1029.32 | J/mol×K | 955.27 | Joback Calculated Property |
| Cp,gas | 1042.28 | J/mol×K | 988.49 | Joback Calculated Property |
| Cp,gas | 1054.01 | J/mol×K | 1021.71 | Joback Calculated Property |
| Cp,gas | 1064.55 | J/mol×K | 1054.93 | Joback Calculated Property |
| η | [0.0000295; 0.0006969] | Pa×s | [458.82; 855.60] |
|
| η | 0.0006969 | Pa×s | 458.82 | Joback Calculated Property |
| η | 0.0002951 | Pa×s | 524.95 | Joback Calculated Property |
| η | 0.0001514 | Pa×s | 591.08 | Joback Calculated Property |
| η | 0.0000889 | Pa×s | 657.21 | Joback Calculated Property |
| η | 0.0000575 | Pa×s | 723.34 | Joback Calculated Property |
| η | 0.0000400 | Pa×s | 789.47 | Joback Calculated Property |
| η | 0.0000295 | Pa×s | 855.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2,5-dimethylphenyl isobutyl ester.
Sources
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