- InChI
- InChI=1S/C14H20F3NO/c1-11-3-9-4-12(2,6-11)8-13(5-9,7-11)18-10(19)14(15,16)17/h9H,3-8H2,1-2H3,(H,18,19)
- InChI Key
- PRMUEKWAUBTBRV-UHFFFAOYSA-N
- Formula
- C14H20F3NO
- SMILES
-
CC12CC3CC(C)(C1)CC(NC(=O)C(F)(
F)F)(C3)C2 - Molecular Weight1
- 275.31
- Other Names
-
- 3,5-Dimethyladamantan-1-yl-trifluoroacetamine
- 3,5-Dimethyltricyclo[3.3.1.13,7]decan-1-trifluoroacetamine
- 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.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1031.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.72 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.414 | Crippen Calculated Property | |
| McVol | 192.400 | ml/mol | McGowan Calculated Property |
| Inp | [1484.00; 1484.00] |
|
|
| Inp | 1484.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Tfus | 360.69 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, 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 | [577.79; 677.07] | J/mol×K | [639.08; 854.20] |
|
| Cp,gas | 577.79 | J/mol×K | 639.08 | Joback Calculated Property |
| Cp,gas | 595.33 | J/mol×K | 674.93 | Joback Calculated Property |
| Cp,gas | 611.96 | J/mol×K | 710.79 | Joback Calculated Property |
| Cp,gas | 628.07 | J/mol×K | 746.64 | Joback Calculated Property |
| Cp,gas | 644.04 | J/mol×K | 782.49 | Joback Calculated Property |
| Cp,gas | 660.25 | J/mol×K | 818.35 | Joback Calculated Property |
| Cp,gas | 677.07 | J/mol×K | 854.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-(3,5-Dimethyl-1-adamantyl)trifluoroacetamide.
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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