- InChI
- InChI=1S/C16H30Cl3NO/c1-3-5-7-9-11-13-20(15(21)16(17,18)19)14-12-10-8-6-4-2/h3-14H2,1-2H3
- InChI Key
- BVFXHEMDRLSTLE-UHFFFAOYSA-N
- Formula
- C16H30Cl3NO
- SMILES
-
CCCCCCCN(CCCCCCC)C(=O)C(Cl)(Cl
)Cl - Molecular Weight1
- 358.78
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -508.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.59 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.126 | Crippen Calculated Property | |
| McVol | 284.570 | ml/mol | McGowan Calculated Property |
| Inp | 2216.00 | NIST | |
| Tboil | 601.87 | K | Relay (1.0) Calculated Property |
| Tfus | 275.20 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [788.14; 872.23] | J/mol×K | [741.05; 927.77] | 
|
| Cp,gas | 788.14 | J/mol×K | 741.05 | Joback Calculated Property |
| Cp,gas | 804.22 | J/mol×K | 772.17 | Joback Calculated Property |
| Cp,gas | 819.40 | J/mol×K | 803.29 | Joback Calculated Property |
| Cp,gas | 833.73 | J/mol×K | 834.41 | Joback Calculated Property |
| Cp,gas | 847.28 | J/mol×K | 865.53 | Joback Calculated Property |
| Cp,gas | 860.09 | J/mol×K | 896.65 | Joback Calculated Property |
| Cp,gas | 872.23 | J/mol×K | 927.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trichloroacetamide, N,N-diheptyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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