- InChI
- InChI=1S/C14H23NO/c1-10(16)15-14-6-11-4-12(2,8-14)7-13(3,5-11)9-14/h11H,4-9H2,1-3H3,(H,15,16)
- InChI Key
- WVIRSYCDAYUOMJ-UHFFFAOYSA-N
- Formula
- C14H23NO
- SMILES
-
CC(=O)NC12CC3CC(C)(CC(C)(C3)C1
)C2 - Molecular Weight1
- 221.34
- Other Names
-
- 3,5-Dimethyladamantan-1-ylacetamine
- 3,5-Dimethyltricyclo[3.3.1.13,7]decan-1-acetamine
- 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 | -437.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.99 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.871 | Crippen Calculated Property | |
| McVol | 187.090 | ml/mol | McGowan Calculated Property |
| Inp | 1742.00 | NIST | |
| Tfus | 350.55 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [234.85; 737.15] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.03570e+02 | |||
| Coefficient B | 2.67436e+00 | |||
| Coefficient C | -2.92430e-03 | |||
| Coefficient D | 1.29066e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 234.85 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 333.71 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 412.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 474.65 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 524.90 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 567.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 605.35 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 643.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 686.29 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 737.15 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to N-(3,5-Dimethyl-1-adamantyl)acetamide.
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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