- InChI
- InChI=1S/C20H26Cl4O4/c1-13(2)12-27-16(25)9-7-5-3-4-6-8-10-17(26)28-20-18(23)14(21)11-15(22)19(20)24/h11,13H,3-10,12H2,1-2H3
- InChI Key
- VTZNJJZJUFHXDE-UHFFFAOYSA-N
- Formula
- C20H26Cl4O4
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)Oc1c(
Cl)c(Cl)cc(Cl)c1Cl - Molecular Weight1
- 472.23
- 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° | -326.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -823.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.50 | kJ/mol | Joback Calculated Property |
| log10WS | -8.17 | Crippen Calculated Property | |
| logPoct/wat | 7.526 | Crippen Calculated Property | |
| McVol | 332.740 | ml/mol | McGowan Calculated Property |
| Pc | 1176.85 | kPa | Joback Calculated Property |
| Inp | [3111.00; 3111.00] |
|
|
| Inp | 3111.00 | NIST | |
| Inp | 3111.00 | NIST | |
| Tboil | 1005.46 | K | Joback Calculated Property |
| Tc | 1232.98 | K | Joback Calculated Property |
| Tfus | 640.66 | K | Joback Calculated Property |
| Vc | 1.286 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [970.82; 1017.45] | J/mol×K | [1005.46; 1232.98] |
|
| Cp,gas | 970.82 | J/mol×K | 1005.46 | Joback Calculated Property |
| Cp,gas | 981.86 | J/mol×K | 1043.38 | Joback Calculated Property |
| Cp,gas | 991.56 | J/mol×K | 1081.30 | Joback Calculated Property |
| Cp,gas | 999.95 | J/mol×K | 1119.22 | Joback Calculated Property |
| Cp,gas | 1007.05 | J/mol×K | 1157.14 | Joback Calculated Property |
| Cp,gas | 1012.88 | J/mol×K | 1195.06 | Joback Calculated Property |
| Cp,gas | 1017.45 | J/mol×K | 1232.98 | Joback Calculated Property |
| η | [0.0000277; 0.0001990] | Pa×s | [640.66; 1005.46] |
|
| η | 0.0001990 | Pa×s | 640.66 | Joback Calculated Property |
| η | 0.0001243 | Pa×s | 701.46 | Joback Calculated Property |
| η | 0.0000836 | Pa×s | 762.26 | Joback Calculated Property |
| η | 0.0000597 | Pa×s | 823.06 | Joback Calculated Property |
| η | 0.0000446 | Pa×s | 883.86 | Joback Calculated Property |
| η | 0.0000346 | Pa×s | 944.66 | Joback Calculated Property |
| η | 0.0000277 | Pa×s | 1005.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, isobutyl 2,3,5,6-tetrachlorophenyl ester.
Sources
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