![Bicyclo[2.2.1]heptane, 2-ethenyl-](/cid/73-352-0/Bicyclo-2-2-1-heptane-2-ethenyl.png "Bicyclo[2.2.1]heptane, 2-ethenyl-")
- InChI
- InChI=1S/C9H14/c1-2-8-5-7-3-4-9(8)6-7/h2,7-9H,1,3-6H2
- InChI Key
- PFUYSXSIHCSVJJ-UHFFFAOYSA-N
- Formula
- C9H14
- SMILES
- C=CC1CC2CCC1C2
- Molecular Weight1
- 122.21
- Other Names
-
- 2-Vinylbicyclo[2.2.1]heptane
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 20.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.609 | Crippen Calculated Property | |
| McVol | 111.650 | ml/mol | McGowan Calculated Property |
| Tboil | 430.34 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 |
|---|---|---|---|---|
| ΔvapH | 38.60 | kJ/mol | 367.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [137.08; 423.05] | 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 | -1.07950e+02 | |||
| Coefficient B | 1.10450e+00 | |||
| Coefficient C | -8.27300e-04 | |||
| Coefficient D | 2.53800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 137.08 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 190.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 236.62 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 276.27 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 310.24 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 339.34 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 364.36 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 386.12 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 405.42 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 423.05 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005567; 0.0005237] | Pa×s | [217.55; 433.16] |
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 | -7.61625e+00 | |||
| Coefficient B | 2.67200e+01 | |||
| 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. | 217.55 | |||
| Temperature range, max. | 433.16 | |||
| η | 0.0005567 | Pa×s | 217.55 | Calculated Property |
| η | 0.0005500 | Pa×s | 241.51 | Calculated Property |
| η | 0.0005445 | Pa×s | 265.46 | Calculated Property |
| η | 0.0005400 | Pa×s | 289.42 | Calculated Property |
| η | 0.0005362 | Pa×s | 313.37 | Calculated Property |
| η | 0.0005330 | Pa×s | 337.33 | Calculated Property |
| η | 0.0005302 | Pa×s | 361.29 | Calculated Property |
| η | 0.0005277 | Pa×s | 385.24 | Calculated Property |
| η | 0.0005256 | Pa×s | 409.20 | Calculated Property |
| η | 0.0005237 | Pa×s | 433.16 | Calculated Property |
Similar Compounds
Find more compounds similar to Bicyclo[2.2.1]heptane, 2-ethenyl-.
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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