- InChI
- InChI=1S/C22H40O5/c1-4-5-6-7-8-9-10-11-12-15-18-26-21(24)16-13-14-17-22(25)27-20(3)19(2)23/h20H,4-18H2,1-3H3
- InChI Key
- RDBHJOPVLWFEQZ-UHFFFAOYSA-N
- Formula
- C22H40O5
- SMILES
-
CCCCCCCCCCCCOC(=O)CCCCC(=O)OC(
C)C(C)=O - Molecular Weight1
- 384.55
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.0984 | Relay (1.0) Calculated Property | |
| ΔfG° | -464.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1240.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.532 | Crippen Calculated Property | |
| McVol | 337.290 | ml/mol | McGowan Calculated Property |
| Pc | 997.02 | kPa | Joback Calculated Property |
| Inp | [2633.00; 2633.00] |
|
|
| Inp | 2633.00 | NIST | |
| Inp | 2633.00 | NIST | |
| Tboil | 622.33 | K | Relay (1.0) Calculated Property |
| Tc | 809.57 | K | Relay (1.0) Calculated Property |
| Tfus | 321.81 | K | Relay (1.0) Calculated Property |
| Vc | 1.285 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1114.67; 1200.82] | J/mol×K | [908.77; 1112.66] |
|
| Cp,gas | 1114.67 | J/mol×K | 908.77 | Joback Calculated Property |
| Cp,gas | 1132.27 | J/mol×K | 942.75 | Joback Calculated Property |
| Cp,gas | 1148.54 | J/mol×K | 976.73 | Joback Calculated Property |
| Cp,gas | 1163.50 | J/mol×K | 1010.72 | Joback Calculated Property |
| Cp,gas | 1177.19 | J/mol×K | 1044.70 | Joback Calculated Property |
| Cp,gas | 1189.62 | J/mol×K | 1078.68 | Joback Calculated Property |
| Cp,gas | 1200.82 | J/mol×K | 1112.66 | Joback Calculated Property |
| η | [0.0000342; 0.0005844] | Pa×s | [516.95; 908.77] |
|
| η | 0.0005844 | Pa×s | 516.95 | Joback Calculated Property |
| η | 0.0002793 | Pa×s | 582.25 | Joback Calculated Property |
| η | 0.0001549 | Pa×s | 647.56 | Joback Calculated Property |
| η | 0.0000957 | Pa×s | 712.86 | Joback Calculated Property |
| η | 0.0000641 | Pa×s | 778.16 | Joback Calculated Property |
| η | 0.0000457 | Pa×s | 843.47 | Joback Calculated Property |
| η | 0.0000342 | Pa×s | 908.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, dodecyl 3-oxobut-2-yl ester.
Sources
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