- InChI
- InChI=1S/C22H31Cl3O4/c1-16(2)10-9-15-28-19(26)11-7-5-3-4-6-8-12-20(27)29-22-18(24)14-13-17(23)21(22)25/h13-14,16H,3-12,15H2,1-2H3
- InChI Key
- WUVMMTJNOBLMLD-UHFFFAOYSA-N
- Formula
- C22H31Cl3O4
- SMILES
-
CC(C)CCCOC(=O)CCCCCCCCC(=O)Oc1
c(Cl)ccc(Cl)c1Cl - Molecular Weight1
- 465.84
- 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° | -288.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -837.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.91 | kJ/mol | Joback Calculated Property |
| log10WS | -8.32 | Crippen Calculated Property | |
| logPoct/wat | 7.652 | Crippen Calculated Property | |
| McVol | 348.680 | ml/mol | McGowan Calculated Property |
| Pc | 1071.46 | kPa | Joback Calculated Property |
| Inp | [3173.00; 3173.00] |
|
|
| Inp | 3173.00 | NIST | |
| Inp | 3173.00 | NIST | |
| Tboil | 1008.81 | K | Joback Calculated Property |
| Tc | 1235.42 | K | Joback Calculated Property |
| Tfus | 620.76 | K | Joback Calculated Property |
| Vc | 1.349 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1070.25; 1126.15] | J/mol×K | [1008.81; 1235.42] |
|
| Cp,gas | 1070.25 | J/mol×K | 1008.81 | Joback Calculated Property |
| Cp,gas | 1082.97 | J/mol×K | 1046.58 | Joback Calculated Property |
| Cp,gas | 1094.29 | J/mol×K | 1084.35 | Joback Calculated Property |
| Cp,gas | 1104.24 | J/mol×K | 1122.12 | Joback Calculated Property |
| Cp,gas | 1112.84 | J/mol×K | 1159.88 | Joback Calculated Property |
| Cp,gas | 1120.13 | J/mol×K | 1197.65 | Joback Calculated Property |
| Cp,gas | 1126.15 | J/mol×K | 1235.42 | Joback Calculated Property |
| η | [0.0000237; 0.0002140] | Pa×s | [620.76; 1008.81] |
|
| η | 0.0002140 | Pa×s | 620.76 | Joback Calculated Property |
| η | 0.0001248 | Pa×s | 685.43 | Joback Calculated Property |
| η | 0.0000798 | Pa×s | 750.11 | Joback Calculated Property |
| η | 0.0000548 | Pa×s | 814.78 | Joback Calculated Property |
| η | 0.0000398 | Pa×s | 879.46 | Joback Calculated Property |
| η | 0.0000302 | Pa×s | 944.13 | Joback Calculated Property |
| η | 0.0000237 | Pa×s | 1008.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, isohexyl 2,3,6-trichlorophenyl ester.
Sources
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