- InChI
- InChI=1S/C16H24/c1-15-3-9-12-6-16(2)7-13(9)11(5-15)14(8-16)10(12)4-15/h9-14H,3-8H2,1-2H3
- InChI Key
- FAPJFURKAYGFNX-UHFFFAOYSA-N
- Formula
- C16H24
- SMILES
-
CC12CC3C4CC5(C)CC3C(C1)C(C5)C4
C2 - Molecular Weight1
- 216.37
- 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).
- IE : Ionization energy (eV).
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -200.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.105 | Crippen Calculated Property | |
| McVol | 182.000 | ml/mol | McGowan Calculated Property |
| Inp | 1541.00 | NIST | |
| Tboil | 539.42 | K | Relay (1.0) Calculated Property |
| Tfus | 410.10 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [231.52; 776.33] | 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 | -3.39910e+02 | |||
| Coefficient B | 2.79224e+00 | |||
| Coefficient C | -2.89300e-03 | |||
| Coefficient D | 1.21700e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 231.52 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 339.73 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 427.03 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 497.29 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 554.35 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 602.05 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 644.25 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 684.80 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 727.54 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 776.33 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 4,9-dimethyl-diamantane.
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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