- InChI
- InChI=1S/C20H27Cl3O4/c1-2-3-12-26-19(24)10-8-6-4-5-7-9-11-20(25)27-18-14-16(22)15(21)13-17(18)23/h13-14H,2-12H2,1H3
- InChI Key
- WFELTZRCEYPOCC-UHFFFAOYSA-N
- Formula
- C20H27Cl3O4
- SMILES
-
CCCCOC(=O)CCCCCCCCC(=O)Oc1cc(C
l)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° | -302.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -790.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.84 | kJ/mol | Joback Calculated Property |
| log10WS | -7.73 | Crippen Calculated Property | |
| logPoct/wat | 7.016 | Crippen Calculated Property | |
| McVol | 320.500 | ml/mol | McGowan Calculated Property |
| Pc | 1213.20 | kPa | Joback Calculated Property |
| Inp | [3003.00; 3003.00] |
|
|
| Inp | 3003.00 | NIST | |
| Inp | 3003.00 | NIST | |
| Tboil | 963.49 | K | Joback Calculated Property |
| Tc | 1182.62 | K | Joback Calculated Property |
| Tfus | 613.22 | K | Joback Calculated Property |
| Vc | 1.242 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [950.93; 1007.29] | J/mol×K | [963.49; 1182.62] |
|
| Cp,gas | 950.93 | J/mol×K | 963.49 | Joback Calculated Property |
| Cp,gas | 963.35 | J/mol×K | 1000.01 | Joback Calculated Property |
| Cp,gas | 974.53 | J/mol×K | 1036.53 | Joback Calculated Property |
| Cp,gas | 984.50 | J/mol×K | 1073.05 | Joback Calculated Property |
| Cp,gas | 993.26 | J/mol×K | 1109.58 | Joback Calculated Property |
| Cp,gas | 1000.85 | J/mol×K | 1146.10 | Joback Calculated Property |
| Cp,gas | 1007.29 | J/mol×K | 1182.62 | Joback Calculated Property |
| η | [0.0000354; 0.0002540] | Pa×s | [613.22; 963.49] |
|
| η | 0.0002540 | Pa×s | 613.22 | Joback Calculated Property |
| η | 0.0001586 | Pa×s | 671.60 | Joback Calculated Property |
| η | 0.0001068 | Pa×s | 729.98 | Joback Calculated Property |
| η | 0.0000762 | Pa×s | 788.36 | Joback Calculated Property |
| η | 0.0000570 | Pa×s | 846.73 | Joback Calculated Property |
| η | 0.0000442 | Pa×s | 905.11 | Joback Calculated Property |
| η | 0.0000354 | Pa×s | 963.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, butyl 2,4,5-trichlorophenyl ester.
Sources
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