![Bicyclo[2.2.1]heptane, 2-ethylidene-1,7,7-trimethyl-, (E)-](/cid/75-256-5/Bicyclo-2-2-1-heptane-2-ethylidene-1-7-7-trimethyl-E.png "Bicyclo[2.2.1]heptane, 2-ethylidene-1,7,7-trimethyl-, (E)-")
- InChI
- InChI=1S/C12H20/c1-5-9-8-10-6-7-12(9,4)11(10,2)3/h5,10H,6-8H2,1-4H3/b9-5+
- InChI Key
- CXSZQFQLQRAPTP-WEVVVXLNSA-N
- Formula
- C12H20
- SMILES
- CC=C1CC2CCC1(C)C2(C)C
- Molecular Weight1
- 164.29
- CAS
- 62413-60-9
- Other Names
-
- (2E)-2-Ethylidene-1,7,7-trimethylbicyclo[2.2.1]heptane
- 2-Ethylidene-1,7,7-trimethylbicyclo[2.2.1]heptane, (E)-
- (E)-2-Ethylidene-1,7,7-trimethylbicyclo[2.2.1]heptane
- 2-Ethylidene-1,7,7-trimethylbicyclo[2.2.1]heptane
- 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).
- 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 | -43.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.22 ± 0.01 | eV | NIST |
| logPoct/wat | 3.779 | Crippen Calculated Property | |
| McVol | 153.920 | ml/mol | McGowan Calculated Property |
| Tboil | 473.96 | K | Relay (1.0) Calculated Property |
| Tfus | 353.89 | 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 | [366.34; 466.07] | J/mol×K | [494.16; 710.52] | 
|
| Cp,gas | 366.34 | J/mol×K | 494.16 | Joback Calculated Property |
| Cp,gas | 386.17 | J/mol×K | 530.22 | Joback Calculated Property |
| Cp,gas | 404.39 | J/mol×K | 566.28 | Joback Calculated Property |
| Cp,gas | 421.25 | J/mol×K | 602.34 | Joback Calculated Property |
| Cp,gas | 436.99 | J/mol×K | 638.40 | Joback Calculated Property |
| Cp,gas | 451.85 | J/mol×K | 674.46 | Joback Calculated Property |
| Cp,gas | 466.07 | J/mol×K | 710.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bicyclo[2.2.1]heptane, 2-ethylidene-1,7,7-trimethyl-, (E)-.
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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