- InChI
- InChI=1S/C22H39Cl3O4/c1-2-3-4-5-6-9-12-15-18-28-20(26)16-13-10-7-8-11-14-17-21(27)29-19-22(23,24)25/h2-19H2,1H3
- InChI Key
- WJXQQWJYBKBJLI-UHFFFAOYSA-N
- Formula
- C22H39Cl3O4
- SMILES
-
CCCCCCCCCCOC(=O)CCCCCCCCC(=O)O
CC(Cl)(Cl)Cl - Molecular Weight1
- 473.90
- 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° | -366.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1042.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 63.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.74 | kJ/mol | Joback Calculated Property |
| log10WS | -8.32 | Crippen Calculated Property | |
| logPoct/wat | 7.704 | Crippen Calculated Property | |
| McVol | 372.440 | ml/mol | McGowan Calculated Property |
| Pc | 901.80 | kPa | Joback Calculated Property |
| Inp | [3026.00; 3026.00] |
|
|
| Inp | 3026.00 | NIST | |
| Inp | 3026.00 | NIST | |
| Tboil | 964.40 | K | Joback Calculated Property |
| Tc | 1181.25 | K | Joback Calculated Property |
| Tfus | 574.20 | K | Joback Calculated Property |
| Vc | 1.452 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1179.72; 1259.08] | J/mol×K | [964.40; 1181.25] |
|
| Cp,gas | 1179.72 | J/mol×K | 964.40 | Joback Calculated Property |
| Cp,gas | 1195.88 | J/mol×K | 1000.54 | Joback Calculated Property |
| Cp,gas | 1210.78 | J/mol×K | 1036.68 | Joback Calculated Property |
| Cp,gas | 1224.49 | J/mol×K | 1072.83 | Joback Calculated Property |
| Cp,gas | 1237.07 | J/mol×K | 1108.97 | Joback Calculated Property |
| Cp,gas | 1248.57 | J/mol×K | 1145.11 | Joback Calculated Property |
| Cp,gas | 1259.08 | J/mol×K | 1181.25 | Joback Calculated Property |
| η | [0.0000179; 0.0002736] | Pa×s | [574.20; 964.40] |
|
| η | 0.0002736 | Pa×s | 574.20 | Joback Calculated Property |
| η | 0.0001377 | Pa×s | 639.23 | Joback Calculated Property |
| η | 0.0000787 | Pa×s | 704.27 | Joback Calculated Property |
| η | 0.0000495 | Pa×s | 769.30 | Joback Calculated Property |
| η | 0.0000334 | Pa×s | 834.33 | Joback Calculated Property |
| η | 0.0000239 | Pa×s | 899.37 | Joback Calculated Property |
| η | 0.0000179 | Pa×s | 964.40 | Joback Calculated Property |
Similar Compounds
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Sources
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