- InChI
- InChI=1S/C20H35Cl3O4/c1-2-3-4-5-10-13-16-26-18(24)14-11-8-6-7-9-12-15-19(25)27-17-20(21,22)23/h2-17H2,1H3
- InChI Key
- BCFQVGPTFOCQAV-UHFFFAOYSA-N
- Formula
- C20H35Cl3O4
- SMILES
-
CCCCCCCCOC(=O)CCCCCCCCC(=O)OCC
(Cl)(Cl)Cl - Molecular Weight1
- 445.85
- 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° | -383.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1001.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.28 | kJ/mol | Joback Calculated Property |
| log10WS | -7.48 | Crippen Calculated Property | |
| logPoct/wat | 6.924 | Crippen Calculated Property | |
| McVol | 344.260 | ml/mol | McGowan Calculated Property |
| Pc | 1015.53 | kPa | Joback Calculated Property |
| Inp | [2821.00; 2821.00] |
|
|
| Inp | 2821.00 | NIST | |
| Inp | 2821.00 | NIST | |
| Tboil | 918.64 | K | Joback Calculated Property |
| Tc | 1125.13 | K | Joback Calculated Property |
| Tfus | 551.66 | K | Joback Calculated Property |
| Vc | 1.339 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1058.01; 1134.22] | J/mol×K | [918.64; 1125.13] |
|
| Cp,gas | 1058.01 | J/mol×K | 918.64 | Joback Calculated Property |
| Cp,gas | 1073.34 | J/mol×K | 953.05 | Joback Calculated Property |
| Cp,gas | 1087.56 | J/mol×K | 987.47 | Joback Calculated Property |
| Cp,gas | 1100.70 | J/mol×K | 1021.88 | Joback Calculated Property |
| Cp,gas | 1112.83 | J/mol×K | 1056.30 | Joback Calculated Property |
| Cp,gas | 1123.99 | J/mol×K | 1090.71 | Joback Calculated Property |
| Cp,gas | 1134.22 | J/mol×K | 1125.13 | Joback Calculated Property |
| η | [0.0000249; 0.0003588] | Pa×s | [551.66; 918.64] |
|
| η | 0.0003588 | Pa×s | 551.66 | Joback Calculated Property |
| η | 0.0001842 | Pa×s | 612.82 | Joback Calculated Property |
| η | 0.0001068 | Pa×s | 673.99 | Joback Calculated Property |
| η | 0.0000677 | Pa×s | 735.15 | Joback Calculated Property |
| η | 0.0000461 | Pa×s | 796.31 | Joback Calculated Property |
| η | 0.0000331 | Pa×s | 857.48 | Joback Calculated Property |
| η | 0.0000249 | Pa×s | 918.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, octyl 2,2,2-trichloroethyl ester.
Sources
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