- InChI
- InChI=1S/C24H46O4/c1-4-5-6-7-12-15-20-27-23(25)18-13-10-8-9-11-14-19-24(26)28-21-16-17-22(2)3/h22H,4-21H2,1-3H3
- InChI Key
- WLCKKDTVXYXCAM-UHFFFAOYSA-N
- Formula
- C24H46O4
- SMILES
-
CCCCCCCCOC(=O)CCCCCCCCC(=O)OCC
CC(C)C - Molecular Weight1
- 398.62
- 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 | 1.1533 | Relay (1.0) Calculated Property | |
| ΔfG° | -471.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1164.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.990 | Crippen Calculated Property | |
| McVol | 363.900 | ml/mol | McGowan Calculated Property |
| Pc | 814.46 | kPa | Joback Calculated Property |
| Inp | 2780.00 | NIST | |
| Tboil | 639.01 | K | Relay (1.0) Calculated Property |
| Tc | 811.21 | K | Relay (1.0) Calculated Property |
| Tfus | 281.95 | K | Relay (1.0) Calculated Property |
| Vc | 1.406 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [546.97; 1274.27] | 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 | 3.02080e+01 | |||
| Coefficient B | 2.18016e+00 | |||
| Coefficient C | -1.09580e-03 | |||
| Coefficient D | 1.59700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 546.97 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 671.42 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 783.78 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 884.56 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 974.26 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1053.39 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1122.45 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1181.95 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1232.38 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1274.27 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0010938; 0.0000400] | Pa×s | [429.90; 741.21] |
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 | -1.46980e+01 | |||
| Coefficient B | 3.38754e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 429.90 | |||
| Temperature range, max. | 741.21 | |||
| η | 0.0010938 | Pa×s | 429.90 | Calculated Property |
| η | 0.0006082 | Pa×s | 464.49 | Calculated Property |
| η | 0.0003669 | Pa×s | 499.08 | Calculated Property |
| η | 0.0002363 | Pa×s | 533.67 | Calculated Property |
| η | 0.0001606 | Pa×s | 568.26 | Calculated Property |
| η | 0.0001141 | Pa×s | 602.85 | Calculated Property |
| η | 0.0000841 | Pa×s | 637.44 | Calculated Property |
| η | 0.0000640 | Pa×s | 672.03 | Calculated Property |
| η | 0.0000500 | Pa×s | 706.62 | Calculated Property |
| η | 0.0000400 | Pa×s | 741.21 | Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, isohexyl octyl ester.
Sources
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