- 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [589.40; 1377.45] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.83900e+01 | |||
| Coefficient B | 2.37016e+00 | |||
| Coefficient C | -1.20460e-03 | |||
| Coefficient D | 1.83500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 589.40 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 724.26 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 845.94 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 955.02 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1052.09 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1137.71 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1212.48 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1276.97 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1331.77 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1377.45 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008052; 0.0000287] | Pa×s | [452.44; 782.71] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.50280e+01 | |||
| Coefficient B | 3.57586e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 452.44 | |||
| Temperature range, max. | 782.71 | |||
| η | 0.0008052 | Pa×s | 452.44 | Calculated Property |
| η | 0.0004450 | Pa×s | 489.14 | Calculated Property |
| η | 0.0002672 | Pa×s | 525.83 | Calculated Property |
| η | 0.0001714 | Pa×s | 562.53 | Calculated Property |
| η | 0.0001162 | Pa×s | 599.23 | Calculated Property |
| η | 0.0000823 | Pa×s | 635.92 | Calculated Property |
| η | 0.0000606 | Pa×s | 672.62 | Calculated Property |
| η | 0.0000460 | Pa×s | 709.32 | Calculated Property |
| η | 0.0000359 | Pa×s | 746.02 | Calculated Property |
| η | 0.0000287 | Pa×s | 782.71 | Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 3-methylbutyl undecyl ester.
Sources
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