- InChI
- InChI=1S/C8H12/c1-7-5-3-4-6-8(7)2/h1-6H2
- InChI Key
- DYEQHQNRKZJUCT-UHFFFAOYSA-N
- Formula
- C8H12
- SMILES
- C=C1CCCCC1=C
- Molecular Weight1
- 108.18
- CAS
- 2819-48-9
- 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).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 69.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 4.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.90; 8.92] | eV |
|
| IE | 8.90 | eV | NIST |
| IE | 8.92 | eV | NIST |
| IE | 8.92 | eV | NIST |
| logPoct/wat | 2.673 | Crippen Calculated Property | |
| McVol | 104.120 | ml/mol | McGowan Calculated Property |
| Tboil | 401.14 | K | Relay (1.0) Calculated Property |
| Tfus | 240.17 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [187.67; 261.29] | J/mol×K | [404.98; 610.19] |
|
| Cp,gas | 187.67 | J/mol×K | 404.98 | Joback Calculated Property |
| Cp,gas | 201.52 | J/mol×K | 439.18 | Joback Calculated Property |
| Cp,gas | 214.72 | J/mol×K | 473.38 | Joback Calculated Property |
| Cp,gas | 227.28 | J/mol×K | 507.59 | Joback Calculated Property |
| Cp,gas | 239.22 | J/mol×K | 541.79 | Joback Calculated Property |
| Cp,gas | 250.55 | J/mol×K | 575.99 | Joback Calculated Property |
| Cp,gas | 261.29 | J/mol×K | 610.19 | Joback Calculated Property |
| η | [0.0002825; 0.0030331] | Pa×s | [218.90; 404.98] |
|
| η | 0.0030331 | Pa×s | 218.90 | Joback Calculated Property |
| η | 0.0015976 | Pa×s | 249.91 | Joback Calculated Property |
| η | 0.0009695 | Pa×s | 280.93 | Joback Calculated Property |
| η | 0.0006497 | Pa×s | 311.94 | Joback Calculated Property |
| η | 0.0004681 | Pa×s | 342.95 | Joback Calculated Property |
| η | 0.0003561 | Pa×s | 373.97 | Joback Calculated Property |
| η | 0.0002825 | Pa×s | 404.98 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [333.70; 397.20] | K | [12.00; 98.70] |
|
| Tboilr | 333.70 | K | 12.00 | NIST |
| Tboilr | 397.20 | K | 98.70 | NIST |
Similar Compounds
Find more compounds similar to Cyclohexane, 1,2-bis(methylene)-.
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
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