- InChI
- InChI=1S/C6H9I/c7-6-4-2-1-3-5-6/h1-2,6H,3-5H2
- InChI Key
- AOIRWGGRZCRXCV-UHFFFAOYSA-N
- Formula
- C6H9I
- SMILES
- IC1CC=CCC1
- Molecular Weight1
- 208.04
- 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.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 149.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.530 | Crippen Calculated Property | |
| McVol | 106.060 | ml/mol | McGowan Calculated Property |
| Inp | [1075.00; 1075.00] |
|
|
| Inp | 1075.00 | NIST | |
| Inp | 1075.00 | NIST | |
| Tboil | 450.52 | K | Relay (1.0) Calculated Property |
| Tfus | 213.65 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [105.25; 291.82] | 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 | -4.87000e+01 | |||
| Coefficient B | 6.78900e-01 | |||
| Coefficient C | -4.52280e-04 | |||
| Coefficient D | 1.13900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 105.25 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 139.92 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 170.26 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 196.64 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 219.41 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 238.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 255.58 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 269.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 281.66 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 291.82 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0067198; 0.0003166] | Pa×s | [223.58; 488.63] |
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 | -1.06353e+01 | |||
| Coefficient B | 1.25933e+03 | |||
| 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. | 223.58 | |||
| Temperature range, max. | 488.63 | |||
| η | 0.0067198 | Pa×s | 223.58 | Calculated Property |
| η | 0.0034885 | Pa×s | 253.03 | Calculated Property |
| η | 0.0020763 | Pa×s | 282.48 | Calculated Property |
| η | 0.0013630 | Pa×s | 311.93 | Calculated Property |
| η | 0.0009621 | Pa×s | 341.38 | Calculated Property |
| η | 0.0007178 | Pa×s | 370.83 | Calculated Property |
| η | 0.0005591 | Pa×s | 400.28 | Calculated Property |
| η | 0.0004507 | Pa×s | 429.73 | Calculated Property |
| η | 0.0003735 | Pa×s | 459.18 | Calculated Property |
| η | 0.0003166 | Pa×s | 488.63 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexene, 4-iodo.
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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