- InChI
- InChI=1S/C12H20/c1-8-10-3-9-4-11(8)7-12(2,5-9)6-10/h8-11H,3-7H2,1-2H3
- InChI Key
- MUQFEEYWQQZABK-UHFFFAOYSA-N
- Formula
- C12H20
- SMILES
- CC1C2CC3CC1CC(C)(C3)C2
- Molecular Weight1
- 164.29
- CAS
- 24145-88-8
- Other Names
-
- 1,4-dimethyladamantane, trans
- 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).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical 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 | -193.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.469 | Crippen Calculated Property | |
| McVol | 147.360 | ml/mol | McGowan Calculated Property |
| Pc | 2561.10 | kPa | Joback Calculated Property |
| Inp | [1183.00; 1183.00] |
|
|
| Inp | 1183.00 | NIST | |
| Inp | 1183.00 | NIST | |
| Tboil | 481.71 | K | Relay (1.0) Calculated Property |
| Tc | 718.07 | K | Relay (1.0) Calculated Property |
| Tfus | 304.21 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [367.92; 482.69] | J/mol×K | [489.35; 705.73] |
|
| Cp,gas | 367.92 | J/mol×K | 489.35 | Joback Calculated Property |
| Cp,gas | 390.71 | J/mol×K | 525.41 | Joback Calculated Property |
| Cp,gas | 411.78 | J/mol×K | 561.48 | Joback Calculated Property |
| Cp,gas | 431.34 | J/mol×K | 597.54 | Joback Calculated Property |
| Cp,gas | 449.56 | J/mol×K | 633.60 | Joback Calculated Property |
| Cp,gas | 466.61 | J/mol×K | 669.67 | Joback Calculated Property |
| Cp,gas | 482.69 | J/mol×K | 705.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Dimethyladamantane, stereoisomer.
Sources
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