- InChI
- InChI=1S/C24H46O5/c1-4-5-6-7-12-15-19-28-23(25)16-13-10-8-9-11-14-17-24(26)29-21-22(2)18-20-27-3/h22H,4-21H2,1-3H3
- InChI Key
- QGCQSLWRTYDDOI-UHFFFAOYSA-N
- Formula
- C24H46O5
- SMILES
-
CCCCCCCCOC(=O)CCCCCCCCC(=O)OCC
(C)CCOC - Molecular Weight1
- 414.62
- Other Names
-
- Sebacic acid, 4-methoxy-2-methylphenyl octyl 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 | 1.1757 | Relay (1.0) Calculated Property | |
| ΔfG° | -424.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1275.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.227 | Crippen Calculated Property | |
| McVol | 369.770 | ml/mol | McGowan Calculated Property |
| Pc | 845.54 | kPa | Joback Calculated Property |
| Inp | 2853.00 | NIST | |
| Tboil | 652.83 | K | Relay (1.0) Calculated Property |
| Tc | 818.91 | K | Relay (1.0) Calculated Property |
| Tfus | 265.85 | K | Relay (1.0) Calculated Property |
| Vc | 1.406 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1250.13; 1345.43] | J/mol×K | [923.08; 1132.65] | 
|
| Cp,gas | 1250.13 | J/mol×K | 923.08 | Joback Calculated Property |
| Cp,gas | 1269.91 | J/mol×K | 958.01 | Joback Calculated Property |
| Cp,gas | 1288.10 | J/mol×K | 992.94 | Joback Calculated Property |
| Cp,gas | 1304.72 | J/mol×K | 1027.86 | Joback Calculated Property |
| Cp,gas | 1319.81 | J/mol×K | 1062.79 | Joback Calculated Property |
| Cp,gas | 1333.37 | J/mol×K | 1097.72 | Joback Calculated Property |
| Cp,gas | 1345.43 | J/mol×K | 1132.65 | Joback Calculated Property |
| η | [0.0000198; 0.0004053] | Pa×s | [511.79; 923.08] |
|
| η | 0.0004053 | Pa×s | 511.79 | Joback Calculated Property |
| η | 0.0001821 | Pa×s | 580.34 | Joback Calculated Property |
| η | 0.0000969 | Pa×s | 648.89 | Joback Calculated Property |
| η | 0.0000582 | Pa×s | 717.43 | Joback Calculated Property |
| η | 0.0000382 | Pa×s | 785.98 | Joback Calculated Property |
| η | 0.0000268 | Pa×s | 854.53 | Joback Calculated Property |
| η | 0.0000198 | Pa×s | 923.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 4-methoxy-2-methylbutyl octyl ester.
Sources
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