- InChI
- InChI=1S/C22H42O6/c1-19(13-15-25-3)17-27-21(23)11-9-7-5-6-8-10-12-22(24)28-18-20(2)14-16-26-4/h19-20H,5-18H2,1-4H3
- InChI Key
- AEDKNRPYRNCPLZ-UHFFFAOYSA-N
- Formula
- C22H42O6
- SMILES
-
COCCC(C)COC(=O)CCCCCCCCC(=O)OC
C(C)CCOC - Molecular Weight1
- 402.57
- Other Names
-
- Sebacic acid, di(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 | 1.1093 | Relay (1.0) Calculated Property | |
| ΔfG° | -548.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1373.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.539 | Crippen Calculated Property | |
| McVol | 347.460 | ml/mol | McGowan Calculated Property |
| Pc | 943.26 | kPa | Joback Calculated Property |
| Inp | 2734.00 | NIST | |
| Tboil | 648.17 | K | Relay (1.0) Calculated Property |
| Tc | 808.28 | K | Relay (1.0) Calculated Property |
| Tfus | 252.44 | K | Relay (1.0) Calculated Property |
| Vc | 1.304 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1156.64; 1245.02] | J/mol×K | [899.30; 1101.28] | 
|
| Cp,gas | 1156.64 | J/mol×K | 899.30 | Joback Calculated Property |
| Cp,gas | 1175.12 | J/mol×K | 932.96 | Joback Calculated Property |
| Cp,gas | 1192.09 | J/mol×K | 966.63 | Joback Calculated Property |
| Cp,gas | 1207.57 | J/mol×K | 1000.29 | Joback Calculated Property |
| Cp,gas | 1221.55 | J/mol×K | 1033.95 | Joback Calculated Property |
| Cp,gas | 1234.03 | J/mol×K | 1067.62 | Joback Calculated Property |
| Cp,gas | 1245.02 | J/mol×K | 1101.28 | Joback Calculated Property |
| η | [0.0000182; 0.0004054] | Pa×s | [496.48; 899.30] |
|
| η | 0.0004054 | Pa×s | 496.48 | Joback Calculated Property |
| η | 0.0001777 | Pa×s | 563.62 | Joback Calculated Property |
| η | 0.0000928 | Pa×s | 630.75 | Joback Calculated Property |
| η | 0.0000549 | Pa×s | 697.89 | Joback Calculated Property |
| η | 0.0000357 | Pa×s | 765.03 | Joback Calculated Property |
| η | 0.0000248 | Pa×s | 832.16 | Joback Calculated Property |
| η | 0.0000182 | Pa×s | 899.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, di(4-methoxy-2-methylpbutyl) ester.
Sources
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