![Bicyclo[2.1.1]hex-2-ene](/cid/44-258-7/Bicyclo-2-1-1-hex-2-ene.png "Bicyclo[2.1.1]hex-2-ene")
- InChI
- InChI=1S/C6H8/c1-2-6-3-5(1)4-6/h1-2,5-6H,3-4H2
- InChI Key
- YWDBHFZUBPOPRQ-UHFFFAOYSA-N
- Formula
- C6H8
- SMILES
- C1=CC2CC1C2
- Molecular Weight1
- 80.13
- CAS
- 822-41-3
- 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).
- Pc : Critical Pressure (kPa).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 251.00 | kJ/mol | NIST |
| ΔfusH° | 8.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 27.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.582 | Crippen Calculated Property | |
| McVol | 69.380 | ml/mol | McGowan Calculated Property |
| Pc | 4456.32 | kPa | Joback Calculated Property |
| Tboil | 341.47 | K | Relay (1.0) Calculated Property |
| Tc | 558.21 | K | Relay (1.0) Calculated Property |
| Tfus | 335.19 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [79.40; 257.05] | 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 | -9.52700e+01 | |||
| Coefficient B | 8.19600e-01 | |||
| Coefficient C | -7.30280e-04 | |||
| Coefficient D | 2.63000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 79.40 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 114.93 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 144.57 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 169.15 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 189.51 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 206.48 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 220.88 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 233.56 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 245.34 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 257.05 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0001813; 0.0003441] | Pa×s | [194.02; 382.90] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -7.31635e+00 | |||
| Coefficient B | -2.52040e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 194.02 | |||
| Temperature range, max. | 382.90 | |||
| η | 0.0001813 | Pa×s | 194.02 | Calculated Property |
| η | 0.0002058 | Pa×s | 215.01 | Calculated Property |
| η | 0.0002284 | Pa×s | 235.99 | Calculated Property |
| η | 0.0002492 | Pa×s | 256.98 | Calculated Property |
| η | 0.0002684 | Pa×s | 277.97 | Calculated Property |
| η | 0.0002860 | Pa×s | 298.95 | Calculated Property |
| η | 0.0003023 | Pa×s | 319.94 | Calculated Property |
| η | 0.0003173 | Pa×s | 340.93 | Calculated Property |
| η | 0.0003312 | Pa×s | 361.91 | Calculated Property |
| η | 0.0003441 | Pa×s | 382.90 | Calculated Property |
Similar Compounds
Find more compounds similar to Bicyclo[2.1.1]hex-2-ene.
Sources
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