- InChI
- InChI=1S/C26H50O4/c1-5-7-9-15-19-23(3)29-25(27)21-17-13-11-12-14-18-22-26(28)30-24(4)20-16-10-8-6-2/h23-24H,5-22H2,1-4H3
- InChI Key
- GCODXQZNEMRCBU-UHFFFAOYSA-N
- Formula
- C26H50O4
- SMILES
-
CCCCCCC(C)OC(=O)CCCCCCCCC(=O)O
C(C)CCCCCC - 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 | 1.1780 | Relay (1.0) Calculated Property | |
| ΔfG° | -457.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1231.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.911 | Crippen Calculated Property | |
| McVol | 392.080 | ml/mol | McGowan Calculated Property |
| Pc | 735.22 | kPa | Joback Calculated Property |
| Inp | 2814.00 | NIST | |
| Tboil | 630.99 | K | Relay (1.0) Calculated Property |
| Tc | 815.40 | K | Relay (1.0) Calculated Property |
| Tfus | 285.70 | K | Relay (1.0) Calculated Property |
| Vc | 1.514 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [589.09; 1377.99] | 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 | 2.67080e+01 | |||
| Coefficient B | 2.37608e+00 | |||
| Coefficient C | -1.20780e-03 | |||
| Coefficient D | 1.83000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 589.09 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 724.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 846.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 955.47 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1052.69 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1138.42 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1213.23 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1277.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1332.44 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1377.99 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0010068; 0.0000265] | Pa×s | [437.44; 781.68] |
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 | -1.51620e+01 | |||
| Coefficient B | 3.61368e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 437.44 | |||
| Temperature range, max. | 781.68 | |||
| η | 0.0010068 | Pa×s | 437.44 | Calculated Property |
| η | 0.0005182 | Pa×s | 475.69 | Calculated Property |
| η | 0.0002944 | Pa×s | 513.94 | Calculated Property |
| η | 0.0001809 | Pa×s | 552.19 | Calculated Property |
| η | 0.0001184 | Pa×s | 590.43 | Calculated Property |
| η | 0.0000816 | Pa×s | 628.68 | Calculated Property |
| η | 0.0000587 | Pa×s | 666.93 | Calculated Property |
| η | 0.0000437 | Pa×s | 705.18 | Calculated Property |
| η | 0.0000336 | Pa×s | 743.43 | Calculated Property |
| η | 0.0000265 | Pa×s | 781.68 | Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, di(2-octyl) ester.
Sources
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