- InChI
- InChI=1S/C22H42O5/c1-4-5-6-13-17-26-21(23)14-11-9-7-8-10-12-15-22(24)27-19-20(2)16-18-25-3/h20H,4-19H2,1-3H3
- InChI Key
- XCWRHNAFSITOJZ-UHFFFAOYSA-N
- Formula
- C22H42O5
- SMILES
-
CCCCCCOC(=O)CCCCCCCCC(=O)OCC(C
)CCOC - Molecular Weight1
- 386.57
- Other Names
-
- Sebacic acid, hexyl 4-methoxy-2-methylphenyl ester
- 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 | 1.1056 | Relay (1.0) Calculated Property | |
| ΔfG° | -440.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1235.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.447 | Crippen Calculated Property | |
| McVol | 341.590 | ml/mol | McGowan Calculated Property |
| Pc | 948.50 | kPa | Joback Calculated Property |
| Inp | 2652.00 | NIST | |
| Tboil | 639.05 | K | Relay (1.0) Calculated Property |
| Tc | 803.88 | K | Relay (1.0) Calculated Property |
| Tfus | 255.23 | K | Relay (1.0) Calculated Property |
| Vc | 1.296 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1124.56; 1218.14] | J/mol×K | [877.32; 1074.12] | 
|
| Cp,gas | 1124.56 | J/mol×K | 877.32 | Joback Calculated Property |
| Cp,gas | 1143.45 | J/mol×K | 910.12 | Joback Calculated Property |
| Cp,gas | 1161.00 | J/mol×K | 942.92 | Joback Calculated Property |
| Cp,gas | 1177.23 | J/mol×K | 975.72 | Joback Calculated Property |
| Cp,gas | 1192.16 | J/mol×K | 1008.52 | Joback Calculated Property |
| Cp,gas | 1205.79 | J/mol×K | 1041.32 | Joback Calculated Property |
| Cp,gas | 1218.14 | J/mol×K | 1074.12 | Joback Calculated Property |
| η | [0.0000270; 0.0005231] | Pa×s | [489.25; 877.32] |
|
| η | 0.0005231 | Pa×s | 489.25 | Joback Calculated Property |
| η | 0.0002392 | Pa×s | 553.93 | Joback Calculated Property |
| η | 0.0001288 | Pa×s | 618.61 | Joback Calculated Property |
| η | 0.0000780 | Pa×s | 683.28 | Joback Calculated Property |
| η | 0.0000515 | Pa×s | 747.96 | Joback Calculated Property |
| η | 0.0000363 | Pa×s | 812.64 | Joback Calculated Property |
| η | 0.0000270 | Pa×s | 877.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, hexyl 4-methoxy-2-methylbutyl ester.
Sources
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