- InChI
- InChI=1S/C22H40O4/c1-5-6-7-12-15-20(4)26-22(24)17-14-11-9-8-10-13-16-21(23)25-18-19(2)3/h12,15,19-20H,5-11,13-14,16-18H2,1-4H3/b15-12+
- InChI Key
- LEKBSFFOUJQLPU-NTCAYCPXSA-N
- Formula
- C22H40O4
- SMILES
-
CCCCC=CC(C)OC(=O)CCCCCCCCC(=O)
OCC(C)C - Molecular Weight1
- 368.55
- 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° | -258.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -880.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.06 | kJ/mol | Joback Calculated Property |
| log10WS | -6.48 | Crippen Calculated Property | |
| logPoct/wat | 5.985 | Crippen Calculated Property | |
| McVol | 331.420 | ml/mol | McGowan Calculated Property |
| Pc | 995.13 | kPa | Joback Calculated Property |
| Inp | [2431.00; 2431.00] |
|
|
| Inp | 2431.00 | NIST | |
| Inp | 2431.00 | NIST | |
| Tboil | 858.62 | K | Joback Calculated Property |
| Tc | 1052.44 | K | Joback Calculated Property |
| Tfus | 446.94 | K | Joback Calculated Property |
| Vc | 1.284 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1066.75; 1161.79] | J/mol×K | [858.62; 1052.44] |
|
| Cp,gas | 1066.75 | J/mol×K | 858.62 | Joback Calculated Property |
| Cp,gas | 1085.35 | J/mol×K | 890.92 | Joback Calculated Property |
| Cp,gas | 1102.80 | J/mol×K | 923.23 | Joback Calculated Property |
| Cp,gas | 1119.14 | J/mol×K | 955.53 | Joback Calculated Property |
| Cp,gas | 1134.39 | J/mol×K | 987.83 | Joback Calculated Property |
| Cp,gas | 1148.60 | J/mol×K | 1020.13 | Joback Calculated Property |
| Cp,gas | 1161.79 | J/mol×K | 1052.44 | Joback Calculated Property |
| η | [0.0000291; 0.0008719] | Pa×s | [446.94; 858.62] |
|
| η | 0.0008719 | Pa×s | 446.94 | Joback Calculated Property |
| η | 0.0003392 | Pa×s | 515.55 | Joback Calculated Property |
| η | 0.0001647 | Pa×s | 584.17 | Joback Calculated Property |
| η | 0.0000931 | Pa×s | 652.78 | Joback Calculated Property |
| η | 0.0000587 | Pa×s | 721.39 | Joback Calculated Property |
| η | 0.0000401 | Pa×s | 790.01 | Joback Calculated Property |
| η | 0.0000291 | Pa×s | 858.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, isobutyl oct-3-en-2-yl ester.
Sources
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