- InChI
- InChI=1S/C20H27Cl3O4/c1-14(2)13-26-19(24)9-7-5-3-4-6-8-10-20(25)27-18-12-16(22)15(21)11-17(18)23/h11-12,14H,3-10,13H2,1-2H3
- InChI Key
- IQTIBDLIYVIXQQ-UHFFFAOYSA-N
- Formula
- C20H27Cl3O4
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)Oc1cc
(Cl)c(Cl)cc1Cl - Molecular Weight1
- 437.79
- 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° | -305.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -796.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.45 | kJ/mol | Joback Calculated Property |
| log10WS | -7.48 | Crippen Calculated Property | |
| logPoct/wat | 6.872 | Crippen Calculated Property | |
| McVol | 320.500 | ml/mol | McGowan Calculated Property |
| Pc | 1219.99 | kPa | Joback Calculated Property |
| Inp | 2944.00 | NIST | |
| Tboil | 963.05 | K | Joback Calculated Property |
| Tc | 1183.13 | K | Joback Calculated Property |
| Tfus | 598.22 | K | Joback Calculated Property |
| Vc | 1.236 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [951.38; 1007.39] | J/mol×K | [963.05; 1183.13] | 
|
| Cp,gas | 951.38 | J/mol×K | 963.05 | Joback Calculated Property |
| Cp,gas | 963.80 | J/mol×K | 999.73 | Joback Calculated Property |
| Cp,gas | 974.96 | J/mol×K | 1036.41 | Joback Calculated Property |
| Cp,gas | 984.87 | J/mol×K | 1073.09 | Joback Calculated Property |
| Cp,gas | 993.57 | J/mol×K | 1109.77 | Joback Calculated Property |
| Cp,gas | 1001.06 | J/mol×K | 1146.45 | Joback Calculated Property |
| Cp,gas | 1007.39 | J/mol×K | 1183.13 | Joback Calculated Property |
| η | [0.0000323; 0.0002711] | Pa×s | [598.22; 963.05] |
|
| η | 0.0002711 | Pa×s | 598.22 | Joback Calculated Property |
| η | 0.0001614 | Pa×s | 659.02 | Joback Calculated Property |
| η | 0.0001049 | Pa×s | 719.83 | Joback Calculated Property |
| η | 0.0000729 | Pa×s | 780.63 | Joback Calculated Property |
| η | 0.0000534 | Pa×s | 841.44 | Joback Calculated Property |
| η | 0.0000408 | Pa×s | 902.24 | Joback Calculated Property |
| η | 0.0000323 | Pa×s | 963.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, isobutyl 2,4,5-trichlorophenyl ester.
Sources
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