- InChI
- InChI=1S/C23H36O5/c1-18(2)17-26-22(24)11-9-7-5-6-8-10-12-23(25)28-21-15-13-20(14-16-21)27-19(3)4/h13-16,18-19H,5-12,17H2,1-4H3
- InChI Key
- WWZURHKTHGBGRQ-UHFFFAOYSA-N
- Formula
- C23H36O5
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)Oc1cc
c(OC(C)C)cc1 - Molecular Weight1
- 392.53
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1062.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.81 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.699 | Crippen Calculated Property | |
| McVol | 331.920 | ml/mol | McGowan Calculated Property |
| Pc | 1039.91 | kPa | Joback Calculated Property |
| Inp | 2757.00 | NIST | |
| Tboil | 658.92 | K | Relay (1.0) Calculated Property |
| Tc | 853.50 | K | Relay (1.0) Calculated Property |
| Tfus | 330.60 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [1074.27; 1151.26] | J/mol×K | [895.48; 1099.52] | 
|
| Cp,gas | 1074.27 | J/mol×K | 895.48 | Joback Calculated Property |
| Cp,gas | 1090.72 | J/mol×K | 929.49 | Joback Calculated Property |
| Cp,gas | 1105.69 | J/mol×K | 963.49 | Joback Calculated Property |
| Cp,gas | 1119.21 | J/mol×K | 997.50 | Joback Calculated Property |
| Cp,gas | 1131.30 | J/mol×K | 1031.51 | Joback Calculated Property |
| Cp,gas | 1141.98 | J/mol×K | 1065.52 | Joback Calculated Property |
| Cp,gas | 1151.26 | J/mol×K | 1099.52 | Joback Calculated Property |
| η | [0.0000169; 0.0005913] | Pa×s | [464.80; 895.48] |
|
| η | 0.0005913 | Pa×s | 464.80 | Joback Calculated Property |
| η | 0.0002200 | Pa×s | 536.58 | Joback Calculated Property |
| η | 0.0001034 | Pa×s | 608.36 | Joback Calculated Property |
| η | 0.0000570 | Pa×s | 680.14 | Joback Calculated Property |
| η | 0.0000352 | Pa×s | 751.92 | Joback Calculated Property |
| η | 0.0000236 | Pa×s | 823.70 | Joback Calculated Property |
| η | 0.0000169 | Pa×s | 895.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, isobutyl 4-isopropoxyphenyl ester.
Sources
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