- InChI
- InChI=1S/C17H29Cl3O4/c1-2-3-10-13-23-15(21)11-8-6-4-5-7-9-12-16(22)24-14-17(18,19)20/h2-14H2,1H3
- InChI Key
- OHOLQHOFSHVAHP-UHFFFAOYSA-N
- Formula
- C17H29Cl3O4
- SMILES
-
CCCCCOC(=O)CCCCCCCCC(=O)OCC(Cl
)(Cl)Cl - Molecular Weight1
- 403.77
- 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° | -408.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -939.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.61 | kJ/mol | Joback Calculated Property |
| log10WS | -6.23 | Crippen Calculated Property | |
| logPoct/wat | 5.754 | Crippen Calculated Property | |
| McVol | 301.990 | ml/mol | McGowan Calculated Property |
| Pc | 1231.15 | kPa | Joback Calculated Property |
| Inp | [2517.00; 2517.00] |
|
|
| Inp | 2517.00 | NIST | |
| Inp | 2517.00 | NIST | |
| Tboil | 850.00 | K | Joback Calculated Property |
| Tc | 1047.84 | K | Joback Calculated Property |
| Tfus | 517.85 | K | Joback Calculated Property |
| Vc | 1.171 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [880.37; 952.15] | J/mol×K | [850.00; 1047.84] |
|
| Cp,gas | 880.37 | J/mol×K | 850.00 | Joback Calculated Property |
| Cp,gas | 894.63 | J/mol×K | 882.97 | Joback Calculated Property |
| Cp,gas | 907.93 | J/mol×K | 915.95 | Joback Calculated Property |
| Cp,gas | 920.29 | J/mol×K | 948.92 | Joback Calculated Property |
| Cp,gas | 931.76 | J/mol×K | 981.89 | Joback Calculated Property |
| Cp,gas | 942.37 | J/mol×K | 1014.86 | Joback Calculated Property |
| Cp,gas | 952.15 | J/mol×K | 1047.84 | Joback Calculated Property |
| η | [0.0000406; 0.0005291] | Pa×s | [517.85; 850.00] |
|
| η | 0.0005291 | Pa×s | 517.85 | Joback Calculated Property |
| η | 0.0002806 | Pa×s | 573.21 | Joback Calculated Property |
| η | 0.0001663 | Pa×s | 628.57 | Joback Calculated Property |
| η | 0.0001073 | Pa×s | 683.92 | Joback Calculated Property |
| η | 0.0000740 | Pa×s | 739.28 | Joback Calculated Property |
| η | 0.0000537 | Pa×s | 794.64 | Joback Calculated Property |
| η | 0.0000406 | Pa×s | 850.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, pentyl 2,2,2-trichloroethyl ester.
Sources
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