- InChI
- InChI=1S/C26H50O4/c1-4-5-6-7-8-9-12-15-18-22-29-25(27)19-16-13-10-11-14-17-20-26(28)30-23-21-24(2)3/h24H,4-23H2,1-3H3
- InChI Key
- GQHJOCJMMWWGFB-UHFFFAOYSA-N
- Formula
- C26H50O4
- SMILES
-
CCCCCCCCCCCOC(=O)CCCCCCCCC(=O)
OCCC(C)C - Molecular Weight1
- 426.68
- 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 | 1.2225 | Relay (1.0) Calculated Property | |
| ΔfG° | -455.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1197.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 68.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.771 | Crippen Calculated Property | |
| McVol | 392.080 | ml/mol | McGowan Calculated Property |
| Pc | 732.04 | kPa | Joback Calculated Property |
| Inp | [2939.00; 2939.00] |
|
|
| Inp | 2939.00 | NIST | |
| Inp | 2939.00 | NIST | |
| Tboil | 652.09 | K | Relay (1.0) Calculated Property |
| Tc | 824.60 | K | Relay (1.0) Calculated Property |
| Tfus | 285.82 | K | Relay (1.0) Calculated Property |
| Vc | 1.520 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1326.29; 1429.05] | J/mol×K | [910.48; 1118.16] |
|
| Cp,gas | 1326.29 | J/mol×K | 910.48 | Joback Calculated Property |
| Cp,gas | 1347.37 | J/mol×K | 945.09 | Joback Calculated Property |
| Cp,gas | 1366.80 | J/mol×K | 979.71 | Joback Calculated Property |
| Cp,gas | 1384.64 | J/mol×K | 1014.32 | Joback Calculated Property |
| Cp,gas | 1400.93 | J/mol×K | 1048.93 | Joback Calculated Property |
| Cp,gas | 1415.72 | J/mol×K | 1083.55 | Joback Calculated Property |
| Cp,gas | 1429.05 | J/mol×K | 1118.16 | Joback Calculated Property |
| η | [0.0000151; 0.0008052] | Pa×s | [452.44; 910.48] |
|
| η | 0.0008052 | Pa×s | 452.44 | Joback Calculated Property |
| η | 0.0002572 | Pa×s | 528.78 | Joback Calculated Property |
| η | 0.0001096 | Pa×s | 605.12 | Joback Calculated Property |
| η | 0.0000565 | Pa×s | 681.46 | Joback Calculated Property |
| η | 0.0000333 | Pa×s | 757.80 | Joback Calculated Property |
| η | 0.0000216 | Pa×s | 834.14 | Joback Calculated Property |
| η | 0.0000151 | Pa×s | 910.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 3-methylbutyl undecyl ester.
Sources
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