- InChI
- InChI=1S/C26H50O4/c1-5-6-7-8-11-14-19-24(4)30-26(28)21-16-13-10-9-12-15-20-25(27)29-22-17-18-23(2)3/h23-24H,5-22H2,1-4H3
- InChI Key
- LJJAHBUZBXDQLX-UHFFFAOYSA-N
- Formula
- C26H50O4
- SMILES
-
CCCCCCCCC(C)OC(=O)CCCCCCCCC(=O
)OCCCC(C)C - Molecular Weight1
- 426.67
- 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 | 1.1820 | Relay (1.0) Calculated Property | |
| ΔfG° | -457.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1226.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.769 | Crippen Calculated Property | |
| McVol | 392.080 | ml/mol | McGowan Calculated Property |
| Pc | 735.22 | kPa | Joback Calculated Property |
| Inp | [2821.00; 2821.00] |
|
|
| Inp | 2821.00 | NIST | |
| Inp | 2821.00 | NIST | |
| Tboil | 641.76 | K | Relay (1.0) Calculated Property |
| Tc | 821.37 | K | Relay (1.0) Calculated Property |
| Tfus | 277.59 | K | Relay (1.0) Calculated Property |
| Vc | 1.506 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1326.69; 1428.76] | J/mol×K | [910.04; 1116.68] |
|
| Cp,gas | 1326.69 | J/mol×K | 910.04 | Joback Calculated Property |
| Cp,gas | 1347.64 | J/mol×K | 944.48 | Joback Calculated Property |
| Cp,gas | 1366.95 | J/mol×K | 978.92 | Joback Calculated Property |
| Cp,gas | 1384.68 | J/mol×K | 1013.36 | Joback Calculated Property |
| Cp,gas | 1400.86 | J/mol×K | 1047.80 | Joback Calculated Property |
| Cp,gas | 1415.53 | J/mol×K | 1082.24 | Joback Calculated Property |
| Cp,gas | 1428.76 | J/mol×K | 1116.68 | Joback Calculated Property |
| η | [0.0000138; 0.0010068] | Pa×s | [437.44; 910.04] |
|
| η | 0.0010068 | Pa×s | 437.44 | Joback Calculated Property |
| η | 0.0002854 | Pa×s | 516.21 | Joback Calculated Property |
| η | 0.0001130 | Pa×s | 594.97 | Joback Calculated Property |
| η | 0.0000555 | Pa×s | 673.74 | Joback Calculated Property |
| η | 0.0000317 | Pa×s | 752.51 | Joback Calculated Property |
| η | 0.0000201 | Pa×s | 831.27 | Joback Calculated Property |
| η | 0.0000138 | Pa×s | 910.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2-decyl isohexyl ester.
Sources
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