- InChI
- InChI=1S/C21H32O6/c1-4-16-26-19(22)14-9-7-5-6-8-10-15-20(23)27-21-17(24-2)12-11-13-18(21)25-3/h11-13H,4-10,14-16H2,1-3H3
- InChI Key
- YFZWJXFAATWQNS-UHFFFAOYSA-N
- Formula
- C21H32O6
- SMILES
-
CCCOC(=O)CCCCCCCCC(=O)Oc1c(OC)
cccc1OC - Molecular Weight1
- 380.48
- 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° | -458.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1017.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.07 | kJ/mol | Joback Calculated Property |
| log10WS | -5.49 | Crippen Calculated Property | |
| logPoct/wat | 4.683 | Crippen Calculated Property | |
| McVol | 309.610 | ml/mol | McGowan Calculated Property |
| Pc | 1209.83 | kPa | Joback Calculated Property |
| Inp | 2831.00 | NIST | |
| Tboil | 913.94 | K | Joback Calculated Property |
| Tc | 1121.17 | K | Joback Calculated Property |
| Tfus | 566.67 | K | Joback Calculated Property |
| Vc | 1.188 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [995.18; 1064.28] | J/mol×K | [913.94; 1121.17] | 
|
| Cp,gas | 995.18 | J/mol×K | 913.94 | Joback Calculated Property |
| Cp,gas | 1010.29 | J/mol×K | 948.48 | Joback Calculated Property |
| Cp,gas | 1023.97 | J/mol×K | 983.02 | Joback Calculated Property |
| Cp,gas | 1036.21 | J/mol×K | 1017.56 | Joback Calculated Property |
| Cp,gas | 1047.02 | J/mol×K | 1052.09 | Joback Calculated Property |
| Cp,gas | 1056.37 | J/mol×K | 1086.63 | Joback Calculated Property |
| Cp,gas | 1064.28 | J/mol×K | 1121.17 | Joback Calculated Property |
| η | [0.0000270; 0.0002304] | Pa×s | [566.67; 913.94] |
|
| η | 0.0002304 | Pa×s | 566.67 | Joback Calculated Property |
| η | 0.0001366 | Pa×s | 624.55 | Joback Calculated Property |
| η | 0.0000884 | Pa×s | 682.43 | Joback Calculated Property |
| η | 0.0000613 | Pa×s | 740.31 | Joback Calculated Property |
| η | 0.0000448 | Pa×s | 798.18 | Joback Calculated Property |
| η | 0.0000342 | Pa×s | 856.06 | Joback Calculated Property |
| η | 0.0000270 | Pa×s | 913.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2,6-dimethoxyphenyl propyl ester.
Sources
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