- InChI
- InChI=1S/C22H34O6/c1-17(2)16-27-20(23)14-9-7-5-6-8-10-15-21(24)28-22-18(25-3)12-11-13-19(22)26-4/h11-13,17H,5-10,14-16H2,1-4H3
- InChI Key
- TUWPXKBCVGBSMR-UHFFFAOYSA-N
- Formula
- C22H34O6
- SMILES
-
COc1cccc(OC)c1OC(=O)CCCCCCCCC(
=O)OCC(C)C - Molecular Weight1
- 394.51
- 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 | -1115.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.83 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.929 | Crippen Calculated Property | |
| McVol | 323.700 | ml/mol | McGowan Calculated Property |
| Pc | 1078.51 | kPa | Joback Calculated Property |
| Inp | 2878.00 | NIST | |
| Tboil | 663.06 | K | Relay (1.0) Calculated Property |
| Tc | 861.35 | 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 | [1042.36; 1112.71] | J/mol×K | [900.44; 1104.81] | 
|
| Cp,gas | 1042.36 | J/mol×K | 900.44 | Joback Calculated Property |
| Cp,gas | 1057.89 | J/mol×K | 934.50 | Joback Calculated Property |
| Cp,gas | 1071.90 | J/mol×K | 968.56 | Joback Calculated Property |
| Cp,gas | 1084.39 | J/mol×K | 1002.63 | Joback Calculated Property |
| Cp,gas | 1095.35 | J/mol×K | 1036.69 | Joback Calculated Property |
| Cp,gas | 1104.79 | J/mol×K | 1070.75 | Joback Calculated Property |
| Cp,gas | 1112.71 | J/mol×K | 1104.81 | Joback Calculated Property |
| η | [0.0000162; 0.0003116] | Pa×s | [503.28; 900.44] |
|
| η | 0.0003116 | Pa×s | 503.28 | Joback Calculated Property |
| η | 0.0001429 | Pa×s | 569.47 | Joback Calculated Property |
| η | 0.0000771 | Pa×s | 635.67 | Joback Calculated Property |
| η | 0.0000467 | Pa×s | 701.86 | Joback Calculated Property |
| η | 0.0000309 | Pa×s | 768.05 | Joback Calculated Property |
| η | 0.0000218 | Pa×s | 834.25 | Joback Calculated Property |
| η | 0.0000162 | Pa×s | 900.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2,6-dimethoxyphenyl isobutyl ester.
Sources
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