- InChI
- InChI=1S/C9H16/c1-8(2)9-6-4-3-5-7-9/h3-4,8-9H,5-7H2,1-2H3
- InChI Key
- DUFSFEODQNDOBE-UHFFFAOYSA-N
- Formula
- C9H16
- SMILES
- CC(C)C1CC=CCC1
- Molecular Weight1
- 124.22
- Other Names
-
- 4-isopropylcyclohexene
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 | -80.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.999 | Crippen Calculated Property | |
| McVol | 122.510 | ml/mol | McGowan Calculated Property |
| Inp | [929.50; 933.90] |
|
|
| Inp | 929.50 | NIST | |
| Inp | 933.90 | NIST | |
| Inp | 929.50 | NIST | |
| I | 1066.00 | NIST | |
| Tboil | 424.53 | K | Relay (1.0) Calculated Property |
| Tfus | 178.41 | 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 | [241.39; 335.48] | J/mol×K | [423.59; 629.46] |
|
| Cp,gas | 241.39 | J/mol×K | 423.59 | Joback Calculated Property |
| Cp,gas | 259.26 | J/mol×K | 457.90 | Joback Calculated Property |
| Cp,gas | 276.23 | J/mol×K | 492.21 | Joback Calculated Property |
| Cp,gas | 292.30 | J/mol×K | 526.53 | Joback Calculated Property |
| Cp,gas | 307.52 | J/mol×K | 560.84 | Joback Calculated Property |
| Cp,gas | 321.90 | J/mol×K | 595.15 | Joback Calculated Property |
| Cp,gas | 335.48 | J/mol×K | 629.46 | Joback Calculated Property |
| η | [0.0002516; 0.0107110] | Pa×s | [184.33; 423.59] |
|
| η | 0.0107110 | Pa×s | 184.33 | Joback Calculated Property |
| η | 0.0032873 | Pa×s | 224.21 | Joback Calculated Property |
| η | 0.0014413 | Pa×s | 264.08 | Joback Calculated Property |
| η | 0.0007846 | Pa×s | 303.96 | Joback Calculated Property |
| η | 0.0004918 | Pa×s | 343.84 | Joback Calculated Property |
| η | 0.0003397 | Pa×s | 383.71 | Joback Calculated Property |
| η | 0.0002516 | Pa×s | 423.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexene, 4-(1-methylethyl).
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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