- InChI
- InChI=1S/C28H54O5/c1-4-5-6-7-8-9-10-13-16-19-23-32-27(29)20-17-14-11-12-15-18-21-28(30)33-25-26(2)22-24-31-3/h26H,4-25H2,1-3H3
- InChI Key
- NPRXFTVHKWSDGK-UHFFFAOYSA-N
- Formula
- C28H54O5
- SMILES
-
CCCCCCCCCCCCOC(=O)CCCCCCCCC(=O
)OCC(C)CCOC - Molecular Weight1
- 470.73
- Other Names
-
- Sebacic acid, dodecyl 4-methoxy-2-methylphenyl ester
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -390.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1248.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 71.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.26 | kJ/mol | Joback Calculated Property |
| log10WS | -8.11 | Crippen Calculated Property | |
| logPoct/wat | 7.787 | Crippen Calculated Property | |
| McVol | 426.130 | ml/mol | McGowan Calculated Property |
| Pc | 684.21 | kPa | Joback Calculated Property |
| Inp | 3254.00 | NIST | |
| Tboil | 1014.60 | K | Joback Calculated Property |
| Tc | 1263.85 | K | Joback Calculated Property |
| Tfus | 556.87 | K | Joback Calculated Property |
| Vc | 1.663 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1506.22; 1602.91] | J/mol×K | [1014.60; 1263.85] | 
|
| Cp,gas | 1506.22 | J/mol×K | 1014.60 | Joback Calculated Property |
| Cp,gas | 1528.11 | J/mol×K | 1056.14 | Joback Calculated Property |
| Cp,gas | 1547.60 | J/mol×K | 1097.68 | Joback Calculated Property |
| Cp,gas | 1564.77 | J/mol×K | 1139.22 | Joback Calculated Property |
| Cp,gas | 1579.67 | J/mol×K | 1180.76 | Joback Calculated Property |
| Cp,gas | 1592.37 | J/mol×K | 1222.30 | Joback Calculated Property |
| Cp,gas | 1602.91 | J/mol×K | 1263.85 | Joback Calculated Property |
| η | [0.0000105; 0.0002359] | Pa×s | [556.87; 1014.60] |
|
| η | 0.0002359 | Pa×s | 556.87 | Joback Calculated Property |
| η | 0.0001027 | Pa×s | 633.16 | Joback Calculated Property |
| η | 0.0000535 | Pa×s | 709.45 | Joback Calculated Property |
| η | 0.0000316 | Pa×s | 785.73 | Joback Calculated Property |
| η | 0.0000205 | Pa×s | 862.02 | Joback Calculated Property |
| η | 0.0000143 | Pa×s | 938.31 | Joback Calculated Property |
| η | 0.0000105 | Pa×s | 1014.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, dodecyl 4-methoxy-2-methylbutyl ester.
Sources
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