- InChI
- InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2
- InChI Key
- UNFUYWDGSFDHCW-UHFFFAOYSA-N
- Formula
- C6H11Cl
- SMILES
- ClC1CCCCC1
- Molecular Weight1
- 118.61
- CAS
- 542-18-7
- Other Names
-
- Chlorocyclohexane
- Cyclohexyl chloride
- Monochlorocyclohexane
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -3747.60 ± 1.90 | kJ/mol | NIST |
| ΔfG° | 12.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-166.50; -163.98] | kJ/mol |
|
| ΔfH°gas | -166.50 ± 1.90 | kJ/mol | NIST |
| ΔfH°gas | -163.98 ± 0.62 | kJ/mol | NIST |
| ΔfH°gas | -164.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°liquid | [-209.10; -206.90] | kJ/mol |
|
| ΔfH°liquid | -209.10 ± 1.90 | kJ/mol | NIST |
| ΔfH°liquid | -206.90 ± 2.10 | kJ/mol | NIST |
| ΔfH°liquid | -207.00 | kJ/mol | NIST |
| ΔfusH° | 7.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [40.70; 44.00] | kJ/mol |
|
| ΔvapH° | 42.66 ± 0.03 | kJ/mol | NIST |
| ΔvapH° | 40.70 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 41.80 | kJ/mol | NIST |
| ΔvapH° | 42.92 ± 0.62 | kJ/mol | NIST |
| ΔvapH° | 42.90 ± 0.60 | kJ/mol | NIST |
| ΔvapH° | 44.00 ± 3.00 | kJ/mol | NIST |
| IE | [10.10; 10.67] | eV |
|
| IE | 10.10 ± 0.01 | eV | NIST |
| IE | 10.67 | eV | NIST |
| log10WS | -2.49 | Crippen Calculated Property | |
| logPoct/wat | 2.558 | Crippen Calculated Property | |
| McVol | 96.780 | ml/mol | McGowan Calculated Property |
| Pc | 3782.33 | kPa | Joback Calculated Property |
| Inp | [867.00; 922.00] |
|
|
| Inp | 918.00 | NIST | |
| Inp | 918.00 | NIST | |
| Inp | 905.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 867.00 | NIST | |
| Inp | 888.00 | NIST | |
| Inp | 888.00 | NIST | |
| Inp | 867.00 | NIST | |
| Inp | 870.00 | NIST | |
| Inp | 870.00 | NIST | |
| Inp | 870.00 | NIST | |
| Inp | 871.00 | NIST | |
| Inp | 874.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 874.00 | NIST | |
| Inp | 874.00 | NIST | |
| Inp | 918.00 | NIST | |
| Inp | 867.00 | NIST | |
| Inp | 874.00 | NIST | |
| I | [1163.00; 1173.00] |
|
|
| I | 1173.00 | NIST | |
| I | 1163.00 | NIST | |
| I | 1163.00 | NIST | |
| I | 1163.00 | NIST | |
| Tboil | 393.66 | K | Joback Calculated Property |
| Tc | 606.69 | K | Joback Calculated Property |
| Tfus | [226.00; 230.15] | K |
|
| Tfus | 230.15 ± 0.30 | K | NIST |
| Tfus | 230.10 ± 0.30 | K | NIST |
| Tfus | 228.80 ± 0.30 | K | NIST |
| Tfus | 226.00 ± 3.00 | K | NIST |
| Tfus | 230.00 ± 1.50 | K | NIST |
| Ttriple | 229.34 ± 0.01 | K | NIST |
| Vc | 0.353 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [163.54; 239.93] | J/mol×K | [393.66; 606.69] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 160 180 200 220 240 400 500 600 | ||||
| Cp,gas | 163.54 | J/mol×K | 393.66 | Joback Calculated Property |
| Cp,gas | 178.11 | J/mol×K | 429.16 | Joback Calculated Property |
| Cp,gas | 191.92 | J/mol×K | 464.67 | Joback Calculated Property |
| Cp,gas | 204.98 | J/mol×K | 500.17 | Joback Calculated Property |
| Cp,gas | 217.32 | J/mol×K | 535.68 | Joback Calculated Property |
| Cp,gas | 228.97 | J/mol×K | 571.18 | Joback Calculated Property |
| Cp,gas | 239.93 | J/mol×K | 606.69 | Joback Calculated Property |
| η | [0.0003339; 0.0069833] | Pa×s | [194.68; 393.66] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 1.00e-3 2.00e-3 3.00e-3 4.00e-3 5.00e-3 6.00e-3 7.00e-3 200 250 300 350 | ||||
| η | 0.0069833 | Pa×s | 194.68 | Joback Calculated Property |
| η | 0.0029096 | Pa×s | 227.84 | Joback Calculated Property |
| η | 0.0015144 | Pa×s | 261.01 | Joback Calculated Property |
| η | 0.0009132 | Pa×s | 294.17 | Joback Calculated Property |
| η | 0.0006101 | Pa×s | 327.33 | Joback Calculated Property |
| η | 0.0004390 | Pa×s | 360.50 | Joback Calculated Property |
| η | 0.0003339 | Pa×s | 393.66 | Joback Calculated Property |
| ΔfusH | [0.05; 8.01] | kJ/mol | [120.00; 229.30] |
|
|
T(K) Enthalpy of fusion at a given temperature (kJ/mol) 0 1 2 3 4 5 6 7 8 150 200 | ||||
| ΔfusH | 0.05 | kJ/mol | 120.00 | NIST |
| ΔfusH | 2.04 | kJ/mol | 154.50 | NIST |
| ΔfusH | 8.01 | kJ/mol | 220.40 | NIST |
| ΔfusH | 1.67 | kJ/mol | 228.70 | NIST |
| ΔfusH | 2.04 | kJ/mol | 229.30 | NIST |
| ΔvapH | 39.30 | kJ/mol | 383.00 | NIST |
| ρl | 993.17 | kg/m3 | 298.15 | Study o... |
| ΔfusS | [0.42; 36.35] | J/mol×K | [120.00; 229.30] |
|
| ΔfusS | 0.42 | J/mol×K | 120.00 | NIST |
| ΔfusS | 36.35 | J/mol×K | 220.40 | NIST |
| ΔfusS | 8.91 | J/mol×K | 229.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.68] | kPa | [302.92; 407.33] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.73833e+01 | |||
| Coefficient B | -4.28877e+03 | |||
| Coefficient C | -5.20550e+01 | |||
| Temperature range, min. | 302.92 | |||
| Temperature range, max. | 407.33 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 350 400 | ||||
| Pvap | 1.33 | kPa | 302.92 | Calculated Property |
| Pvap | 2.84 | kPa | 314.52 | Calculated Property |
| Pvap | 5.67 | kPa | 326.12 | Calculated Property |
| Pvap | 10.70 | kPa | 337.72 | Calculated Property |
| Pvap | 19.22 | kPa | 349.32 | Calculated Property |
| Pvap | 33.05 | kPa | 360.93 | Calculated Property |
| Pvap | 54.63 | kPa | 372.53 | Calculated Property |
| Pvap | 87.20 | kPa | 384.13 | Calculated Property |
| Pvap | 134.85 | kPa | 395.73 | Calculated Property |
| Pvap | 202.68 | kPa | 407.33 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane, chloro-.
Mixtures
- Cyclohexane, chloro- + Tetrahydropyran
- Cyclohexane, chloro- + Tetrahydrofuran
- Cyclohexane, chloro- + Furan, tetrahydro-2-methyl-
- Furan, tetrahydro-2,5-dimethyl- + Cyclohexane, chloro-
Sources
- Crippen Method
- Crippen Method
- Study of the Surface Tension of Chlorocyclohexane or Bromocyclohexane with Some Cyclic Ethers
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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