- 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).
- 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° | -332.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -925.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.68 | kJ/mol | Joback Calculated Property |
| log10WS | -6.50 | Crippen Calculated Property | |
| logPoct/wat | 5.699 | Crippen Calculated Property | |
| McVol | 331.920 | ml/mol | McGowan Calculated Property |
| Pc | 1097.17 | kPa | Joback Calculated Property |
| Inp | 2757.00 | NIST | |
| Tboil | 931.42 | K | Joback Calculated Property |
| Tc | 1142.07 | K | Joback Calculated Property |
| Tfus | 524.46 | K | Joback Calculated Property |
| Vc | 1.270 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1088.71; 1164.20] | J/mol×K | [931.42; 1142.07] | 
|
| Cp,gas | 1088.71 | J/mol×K | 931.42 | Joback Calculated Property |
| Cp,gas | 1104.90 | J/mol×K | 966.53 | Joback Calculated Property |
| Cp,gas | 1119.62 | J/mol×K | 1001.64 | Joback Calculated Property |
| Cp,gas | 1132.89 | J/mol×K | 1036.75 | Joback Calculated Property |
| Cp,gas | 1144.73 | J/mol×K | 1071.85 | Joback Calculated Property |
| Cp,gas | 1155.16 | J/mol×K | 1106.96 | Joback Calculated Property |
| Cp,gas | 1164.20 | J/mol×K | 1142.07 | Joback Calculated Property |
| η | [0.0000221; 0.0003723] | Pa×s | [524.46; 931.42] |
|
| η | 0.0003723 | Pa×s | 524.46 | Joback Calculated Property |
| η | 0.0001775 | Pa×s | 592.29 | Joback Calculated Property |
| η | 0.0000985 | Pa×s | 660.11 | Joback Calculated Property |
| η | 0.0000610 | Pa×s | 727.94 | Joback Calculated Property |
| η | 0.0000410 | Pa×s | 795.77 | Joback Calculated Property |
| η | 0.0000294 | Pa×s | 863.59 | Joback Calculated Property |
| η | 0.0000221 | Pa×s | 931.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, isobutyl 4-isopropoxyphenyl ester.
Sources
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