- InChI
- InChI=1S/C28H54O4/c1-3-5-6-7-8-9-10-11-12-13-14-17-20-23-26-32-28(30)25-22-19-16-15-18-21-24-27(29)31-4-2/h3-26H2,1-2H3
- InChI Key
- YQDKJQIFKDONOY-UHFFFAOYSA-N
- Formula
- C28H54O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CCCCCCCC
C(=O)OCC - Molecular Weight1
- 454.73
- 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 | 1.3184 | Relay (1.0) Calculated Property | |
| ΔfG° | -435.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1232.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 77.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 134.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.695 | Crippen Calculated Property | |
| McVol | 420.260 | ml/mol | McGowan Calculated Property |
| Pc | 658.81 | kPa | Joback Calculated Property |
| Inp | [3196.00; 3196.00] |
|
|
| Inp | 3196.00 | NIST | |
| Inp | 3196.00 | NIST | |
| Tboil | 662.05 | K | Relay (1.0) Calculated Property |
| Tc | 838.85 | K | Relay (1.0) Calculated Property |
| Tfus | 311.72 | K | Relay (1.0) Calculated Property |
| Vc | 1.647 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1454.65; 1560.82] | J/mol×K | [956.68; 1184.47] |
|
| Cp,gas | 1454.65 | J/mol×K | 956.68 | Joback Calculated Property |
| Cp,gas | 1477.09 | J/mol×K | 994.65 | Joback Calculated Property |
| Cp,gas | 1497.54 | J/mol×K | 1032.61 | Joback Calculated Property |
| Cp,gas | 1516.07 | J/mol×K | 1070.58 | Joback Calculated Property |
| Cp,gas | 1532.75 | J/mol×K | 1108.54 | Joback Calculated Property |
| Cp,gas | 1547.64 | J/mol×K | 1146.51 | Joback Calculated Property |
| Cp,gas | 1560.82 | J/mol×K | 1184.47 | Joback Calculated Property |
| η | [0.0000120; 0.0004890] | Pa×s | [489.98; 956.68] |
|
| η | 0.0004890 | Pa×s | 489.98 | Joback Calculated Property |
| η | 0.0001725 | Pa×s | 567.76 | Joback Calculated Property |
| η | 0.0000782 | Pa×s | 645.55 | Joback Calculated Property |
| η | 0.0000421 | Pa×s | 723.33 | Joback Calculated Property |
| η | 0.0000255 | Pa×s | 801.11 | Joback Calculated Property |
| η | 0.0000169 | Pa×s | 878.90 | Joback Calculated Property |
| η | 0.0000120 | Pa×s | 956.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, ethyl hexadecyl ester.
Sources
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