- InChI
- InChI=1S/C15H27Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-12-14(19)20-13-15(16,17)18/h2-13H2,1H3
- InChI Key
- VXYPICBEGVDWKX-UHFFFAOYSA-N
- Formula
- C15H27Cl3O2
- SMILES
- CCCCCCCCCCCCC(=O)OCC(Cl)(Cl)Cl
- Molecular Weight1
- 345.73
- 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° | -191.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -653.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.00 | kJ/mol | Joback Calculated Property |
| log10WS | -6.53 | Crippen Calculated Property | |
| logPoct/wat | 6.211 | Crippen Calculated Property | |
| McVol | 266.370 | ml/mol | McGowan Calculated Property |
| Pc | 1367.69 | kPa | Joback Calculated Property |
| Inp | [2074.00; 2077.00] |
|
|
| Inp | 2074.00 | NIST | |
| Inp | 2077.00 | NIST | |
| Inp | 2076.00 | NIST | |
| Inp | 2074.00 | NIST | |
| I | [2436.00; 2485.00] |
|
|
| I | 2436.00 | NIST | |
| I | 2440.00 | NIST | |
| I | 2462.00 | NIST | |
| I | 2467.00 | NIST | |
| I | 2485.00 | NIST | |
| I | 2452.00 | NIST | |
| I | 2436.00 | NIST | |
| Tboil | 727.95 | K | Joback Calculated Property |
| Tc | 915.98 | K | Joback Calculated Property |
| Tfus | 423.15 | K | Joback Calculated Property |
| Vc | 1.036 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [719.98; 799.64] | J/mol×K | [727.95; 915.98] |
|
| Cp,gas | 719.98 | J/mol×K | 727.95 | Joback Calculated Property |
| Cp,gas | 735.27 | J/mol×K | 759.29 | Joback Calculated Property |
| Cp,gas | 749.70 | J/mol×K | 790.63 | Joback Calculated Property |
| Cp,gas | 763.32 | J/mol×K | 821.96 | Joback Calculated Property |
| Cp,gas | 776.15 | J/mol×K | 853.30 | Joback Calculated Property |
| Cp,gas | 788.25 | J/mol×K | 884.64 | Joback Calculated Property |
| Cp,gas | 799.64 | J/mol×K | 915.98 | Joback Calculated Property |
| η | [0.0000807; 0.0013475] | Pa×s | [423.15; 727.95] |
|
| η | 0.0013475 | Pa×s | 423.15 | Joback Calculated Property |
| η | 0.0006554 | Pa×s | 473.95 | Joback Calculated Property |
| η | 0.0003665 | Pa×s | 524.75 | Joback Calculated Property |
| η | 0.0002271 | Pa×s | 575.55 | Joback Calculated Property |
| η | 0.0001521 | Pa×s | 626.35 | Joback Calculated Property |
| η | 0.0001082 | Pa×s | 677.15 | Joback Calculated Property |
| η | 0.0000807 | Pa×s | 727.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,2-Trichloroethyl tridecanoate.
Sources
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