- InChI
- InChI=1S/C19H35Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(23)24-17-19(20,21)22/h2-17H2,1H3
- InChI Key
- KIXAEYLIBITQBV-UHFFFAOYSA-N
- Formula
- C19H35Cl3O2
- SMILES
-
CCCCCCCCCCCCCCCCC(=O)OCC(Cl)(C
l)Cl - Molecular Weight1
- 401.84
- 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.
- I : 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° | -157.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -736.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.90 | kJ/mol | Joback Calculated Property |
| log10WS | -8.20 | Crippen Calculated Property | |
| logPoct/wat | 7.771 | Crippen Calculated Property | |
| McVol | 322.730 | ml/mol | McGowan Calculated Property |
| Pc | 1048.69 | kPa | Joback Calculated Property |
| Inp | [2474.00; 2481.00] |
|
|
| Inp | 2474.00 | NIST | |
| Inp | 2481.00 | NIST | |
| Inp | 2481.00 | NIST | |
| I | [2849.00; 2883.00] |
|
|
| I | 2849.00 | NIST | |
| I | 2867.00 | NIST | |
| I | 2873.00 | NIST | |
| I | 2883.00 | NIST | |
| I | 2873.00 | NIST | |
| I | 2849.00 | NIST | |
| I | 2873.00 | NIST | |
| Tboil | 819.47 | K | Joback Calculated Property |
| Tc | 1009.85 | K | Joback Calculated Property |
| Tfus | 468.23 | K | Joback Calculated Property |
| Vc | 1.260 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [950.09; 1037.14] | J/mol×K | [819.47; 1009.85] |
|
| Cp,gas | 950.09 | J/mol×K | 819.47 | Joback Calculated Property |
| Cp,gas | 966.83 | J/mol×K | 851.20 | Joback Calculated Property |
| Cp,gas | 982.61 | J/mol×K | 882.93 | Joback Calculated Property |
| Cp,gas | 997.49 | J/mol×K | 914.66 | Joback Calculated Property |
| Cp,gas | 1011.50 | J/mol×K | 946.39 | Joback Calculated Property |
| Cp,gas | 1024.70 | J/mol×K | 978.12 | Joback Calculated Property |
| Cp,gas | 1037.14 | J/mol×K | 1009.85 | Joback Calculated Property |
| η | [0.0000433; 0.0008266] | Pa×s | [468.23; 819.47] |
|
| η | 0.0008266 | Pa×s | 468.23 | Joback Calculated Property |
| η | 0.0003848 | Pa×s | 526.77 | Joback Calculated Property |
| η | 0.0002087 | Pa×s | 585.31 | Joback Calculated Property |
| η | 0.0001265 | Pa×s | 643.85 | Joback Calculated Property |
| η | 0.0000834 | Pa×s | 702.39 | Joback Calculated Property |
| η | 0.0000586 | Pa×s | 760.93 | Joback Calculated Property |
| η | 0.0000433 | Pa×s | 819.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,2-Trichloroethyl heptadecanoate.
Sources
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