- InChI
- InChI=1S/C22H42O4/c1-4-5-6-13-18-25-21(23)16-11-9-7-8-10-12-17-22(24)26-19-14-15-20(2)3/h20H,4-19H2,1-3H3
- InChI Key
- OWJGULKHUXSXNX-UHFFFAOYSA-N
- Formula
- C22H42O4
- SMILES
-
CCCCCCOC(=O)CCCCCCCCC(=O)OCCCC
(C)C - Molecular Weight1
- 370.57
- 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 | 1.0831 | Relay (1.0) Calculated Property | |
| ΔfG° | -488.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1125.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.210 | Crippen Calculated Property | |
| McVol | 335.720 | ml/mol | McGowan Calculated Property |
| Pc | 911.63 | kPa | Joback Calculated Property |
| Inp | 2586.00 | NIST | |
| Tboil | 625.13 | K | Relay (1.0) Calculated Property |
| Tc | 796.78 | K | Relay (1.0) Calculated Property |
| Tfus | 272.07 | K | Relay (1.0) Calculated Property |
| Vc | 1.296 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [504.54; 1171.09] | 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 | 3.20260e+01 | |||
| Coefficient B | 1.99016e+00 | |||
| Coefficient C | -9.87000e-04 | |||
| Coefficient D | 1.35900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 504.54 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 618.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 721.63 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 814.10 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 896.44 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 969.07 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1032.42 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1086.92 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1133.00 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1171.09 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014746; 0.0000545] | Pa×s | [407.36; 702.39] |
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 | -1.43729e+01 | |||
| Coefficient B | 3.19922e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 407.36 | |||
| Temperature range, max. | 702.39 | |||
| η | 0.0014746 | Pa×s | 407.36 | Calculated Property |
| η | 0.0008215 | Pa×s | 440.14 | Calculated Property |
| η | 0.0004964 | Pa×s | 472.92 | Calculated Property |
| η | 0.0003202 | Pa×s | 505.70 | Calculated Property |
| η | 0.0002178 | Pa×s | 538.49 | Calculated Property |
| η | 0.0001549 | Pa×s | 571.27 | Calculated Property |
| η | 0.0001143 | Pa×s | 604.05 | Calculated Property |
| η | 0.0000870 | Pa×s | 636.83 | Calculated Property |
| η | 0.0000681 | Pa×s | 669.61 | Calculated Property |
| η | 0.0000545 | Pa×s | 702.39 | Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, hexyl isohexyl ester.
Sources
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