- InChI
- InChI=1S/C6H11I/c7-6-4-2-1-3-5-6/h6H,1-5H2
- InChI Key
- FUCOMWZKWIEKRK-UHFFFAOYSA-N
- Formula
- C6H11I
- SMILES
- IC1CCCCC1
- Molecular Weight1
- 210.06
- CAS
- 626-62-0
- Other Names
-
- c-C6H11I
- cyclohexyl iodide
- iodocyclohexane
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -3835.90 ± 4.20 | kJ/mol | NIST |
| ΔfH°gas | 15.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [43.10; 48.30] | kJ/mol |
|
| ΔvapH° | 48.30 | kJ/mol | NIST |
| ΔvapH° | 43.10 ± 0.80 | kJ/mol | NIST |
| IE | [8.91; 9.00] | eV |
|
| IE | 8.91 | eV | NIST |
| IE | 9.00 | eV | NIST |
| logPoct/wat | 2.754 | Crippen Calculated Property | |
| McVol | 110.360 | ml/mol | McGowan Calculated Property |
| Inp | [1067.00; 1117.00] |
|
|
| Inp | 1117.00 | NIST | |
| Inp | 1117.00 | NIST | |
| Inp | 1070.00 | NIST | |
| Inp | 1070.00 | NIST | |
| Inp | 1070.00 | NIST | |
| Inp | 1067.00 | NIST | |
| Inp | 1070.00 | NIST | |
| Ip | [1405.00; 1449.00] |
|
|
| Ip | 1449.00 | NIST | |
| Ip | 1405.00 | NIST | |
| Ip | 1449.00 | NIST | |
| Ip | 1449.00 | NIST | |
| Tboil | 448.31 | 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
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 353.70 | K | 2.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [111.72; 323.12] | 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 | -5.64800e+01 | |||
| Coefficient B | 7.34900e-01 | |||
| Coefficient C | -4.65000e-04 | |||
| Coefficient D | 1.09700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 111.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 150.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 184.07 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 213.76 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 239.60 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 261.93 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 281.11 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 297.46 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 311.35 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 323.12 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0087731; 0.0003234] | Pa×s | [222.82; 487.28] |
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 | -1.08176e+01 | |||
| Coefficient B | 1.35509e+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. | 222.82 | |||
| Temperature range, max. | 487.28 | |||
| η | 0.0087731 | Pa×s | 222.82 | Calculated Property |
| η | 0.0043194 | Pa×s | 252.20 | Calculated Property |
| η | 0.0024656 | Pa×s | 281.59 | Calculated Property |
| η | 0.0015647 | Pa×s | 310.97 | Calculated Property |
| η | 0.0010741 | Pa×s | 340.36 | Calculated Property |
| η | 0.0007828 | Pa×s | 369.74 | Calculated Property |
| η | 0.0005977 | Pa×s | 399.13 | Calculated Property |
| η | 0.0004735 | Pa×s | 428.51 | Calculated Property |
| η | 0.0003866 | Pa×s | 457.90 | Calculated Property |
| η | 0.0003234 | Pa×s | 487.28 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane, 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
- Vapor Pressure of Selected Organic Iodides
- Joback Method
- McGowan Method
- NIST Webbook
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