- InChI
- InChI=1S/C8H12/c1-7-5-3-4-6-8(7)2/h3-4H,5-6H2,1-2H3
- InChI Key
- QBSFOUVYWBJKBF-UHFFFAOYSA-N
- Formula
- C8H12
- SMILES
- CC1=C(C)CC=CC1
- Molecular Weight1
- 108.18
- CAS
- 17351-28-9
- Other Names
-
- 1,2-Dimethyl-1,4-cyclohexadiene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 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 | 110.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.91 | kJ/mol | Joback Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.673 | Crippen Calculated Property | |
| McVol | 104.120 | ml/mol | McGowan Calculated Property |
| Tboil | 409.33 | K | Relay (1.0) Calculated Property |
| Tfus | 224.10 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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 | [189.88; 261.72] | J/mol×K | [414.94; 623.73] | 
|
| Cp,gas | 189.88 | J/mol×K | 414.94 | Joback Calculated Property |
| Cp,gas | 203.48 | J/mol×K | 449.74 | Joback Calculated Property |
| Cp,gas | 216.40 | J/mol×K | 484.54 | Joback Calculated Property |
| Cp,gas | 228.67 | J/mol×K | 519.34 | Joback Calculated Property |
| Cp,gas | 240.29 | J/mol×K | 554.14 | Joback Calculated Property |
| Cp,gas | 251.30 | J/mol×K | 588.93 | Joback Calculated Property |
| Cp,gas | 261.72 | J/mol×K | 623.73 | Joback Calculated Property |
| η | [0.0002292; 0.0027458] | Pa×s | [218.10; 414.94] |
|
| η | 0.0027458 | Pa×s | 218.10 | Joback Calculated Property |
| η | 0.0013849 | Pa×s | 250.91 | Joback Calculated Property |
| η | 0.0008183 | Pa×s | 283.71 | Joback Calculated Property |
| η | 0.0005393 | Pa×s | 316.52 | Joback Calculated Property |
| η | 0.0003843 | Pa×s | 349.33 | Joback Calculated Property |
| η | 0.0002903 | Pa×s | 382.13 | Joback Calculated Property |
| η | 0.0002292 | Pa×s | 414.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Cyclohexadiene, 1,2-dimethyl-.
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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