- InChI
- InChI=1S/C6F12/c7-1(8)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12
- InChI Key
- RKIMETXDACNTIE-UHFFFAOYSA-N
- Formula
- C6F12
- SMILES
-
FC1(F)C(F)(F)C(F)(F)C(F)(F)C(F
)(F)C1(F)F - Molecular Weight1
- 300.05
- CAS
- 355-68-0
- Other Names
-
- Dodecafluorocyclohexane
- Perfluorocyclohexane
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- μ : Dipole Moment (debye).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | [0.4320; 0.4782] |
|
|
| ω | 0.4782 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ω | 0.4320 | KDB | |
| ΔcH°liquid | -1330.80 ± 7.60 | kJ/mol | NIST |
| μ | 0.00 | debye | KDB |
| ΔfH°gas | -2370.40 ± 8.40 | kJ/mol | NIST |
| ΔfusH° | 7.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [35.98; 36.00] | kJ/mol |
|
| ΔvapH° | 35.98 | kJ/mol | NIST |
| ΔvapH° | 36.00 | kJ/mol | NIST |
| IE | 13.20 | eV | NIST |
| log10WS | -5.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.812 | Crippen Calculated Property | |
| McVol | 105.780 | ml/mol | McGowan Calculated Property |
| Pc | [2240.00; 2431.80] | kPa |
|
| Pc | 2240.00 | kPa | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value |
| Pc | 2431.80 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 2430.00 | kPa | KDB |
| Inp | [248.00; 278.00] |
|
|
| Inp | 278.00 | NIST | |
| Inp | 278.00 | NIST | |
| Inp | 248.00 | NIST | |
| Tboil | 323.76 | K | KDB |
| Tc | [457.20; 457.30] | K |
|
| Tc | 457.30 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value |
| Tc | 457.20 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 457.20 | K | KDB |
| Tfus | 321.60 | K | KDB |
| Vc | [0.459; 0.489] | m3/kmol |
|
| Vc | 0.459 | m3/kmol | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value |
| Vc | 0.489 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Zc | 0.2700000 | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value |
Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | [36.20; 36.40] | kJ/mol | [289.00; 313.00] |
|
| ΔsubH | 36.40 | kJ/mol | 289.00 | NIST |
| ΔsubH | 36.20 | kJ/mol | 313.00 | NIST |
| ΔvapH | [28.00; 29.60] | kJ/mol | [365.00; 415.00] |
|
| ΔvapH | 29.60 | kJ/mol | 365.00 | NIST |
| ΔvapH | 28.10 | kJ/mol | 400.50 | NIST |
| ΔvapH | 28.00 | kJ/mol | 415.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [180.79; 476.07] | 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 | -2.65330e+02 | |||
| Coefficient B | 2.45640e+00 | |||
| Coefficient C | -3.49900e-03 | |||
| Coefficient D | 1.78400e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 180.79 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 244.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 287.76 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 315.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 333.49 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 347.50 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 363.11 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 385.99 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 421.76 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 476.07 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.01; 202.64] | kPa | [226.95; 349.42] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.41940e+01 | |||
| Coefficient B | -2.90945e+03 | |||
| Coefficient C | -2.18740e+01 | |||
| Temperature range, min. | 226.95 | |||
| Temperature range, max. | 349.42 | |||
| Pvap | 1.01 | kPa | 226.95 | Calculated Property |
| Pvap | 2.43 | kPa | 240.56 | Calculated Property |
| Pvap | 5.31 | kPa | 254.17 | Calculated Property |
| Pvap | 10.61 | kPa | 267.77 | Calculated Property |
| Pvap | 19.74 | kPa | 281.38 | Calculated Property |
| Pvap | 34.51 | kPa | 294.99 | Calculated Property |
| Pvap | 57.21 | kPa | 308.60 | Calculated Property |
| Pvap | 90.60 | kPa | 322.20 | Calculated Property |
| Pvap | 137.88 | kPa | 335.81 | Calculated Property |
| Pvap | 202.64 | kPa | 349.42 | Calculated Property |
| Pvap | [10.02; 794.09] | kPa | [280.00; 400.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 3.50618e+02 | |||
| Coefficient B | -1.73517e+04 | |||
| Coefficient C | -5.15264e+01 | |||
| Coefficient D | 5.09816e-05 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 280.00 | |||
| Temperature range, max. | 400.00 | |||
| Pvap | 10.02 | kPa | 280.00 | Calculated Property |
| Pvap | 22.50 | kPa | 293.33 | Calculated Property |
| Pvap | 44.84 | kPa | 306.67 | Calculated Property |
| Pvap | 80.93 | kPa | 320.00 | Calculated Property |
| Pvap | 134.73 | kPa | 333.33 | Calculated Property |
| Pvap | 209.92 | kPa | 346.67 | Calculated Property |
| Pvap | 309.91 | kPa | 360.00 | Calculated Property |
| Pvap | 438.03 | kPa | 373.33 | Calculated Property |
| Pvap | 597.91 | kPa | 386.67 | Calculated Property |
| Pvap | 794.09 | kPa | 400.00 | Calculated Property |
| Pvap | [234.73; 1982.07] | kPa | [350.32; 451.01] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.42895e+01 | |||
| Coefficient B | -2.79148e+03 | |||
| Coefficient C | -3.42210e+01 | |||
| Reference | Crowder, Taylor, et al., 1967 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 350.32 | |||
| Temperature range, max. | 451.01 | |||
| Pvap | 234.73 | kPa | 350.32 | Calculated Property |
| Pvap | 317.45 | kPa | 361.51 | Calculated Property |
| Pvap | 420.84 | kPa | 372.70 | Calculated Property |
| Pvap | 547.92 | kPa | 383.88 | Calculated Property |
| Pvap | 701.79 | kPa | 395.07 | Calculated Property |
| Pvap | 885.60 | kPa | 406.26 | Calculated Property |
| Pvap | 1102.48 | kPa | 417.45 | Calculated Property |
| Pvap | 1355.51 | kPa | 428.63 | Calculated Property |
| Pvap | 1647.73 | kPa | 439.82 | Calculated Property |
| Pvap | 1982.07 | kPa | 451.01 | Calculated Property |
| Pvap | [22.13; 707.51] | kPa | [292.96; 394.50] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.19436e+01 | |||
| Coefficient B | -1.39526e+03 | |||
| Coefficient C | -1.35245e+02 | |||
| Reference | Rowlinson and Thacker, 1957 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 292.96 | |||
| Temperature range, max. | 394.50 | |||
| Pvap | 22.13 | kPa | 292.96 | Calculated Property |
| Pvap | 39.94 | kPa | 304.24 | Calculated Property |
| Pvap | 66.96 | kPa | 315.52 | Calculated Property |
| Pvap | 105.63 | kPa | 326.81 | Calculated Property |
| Pvap | 158.39 | kPa | 338.09 | Calculated Property |
| Pvap | 227.58 | kPa | 349.37 | Calculated Property |
| Pvap | 315.33 | kPa | 360.65 | Calculated Property |
| Pvap | 423.55 | kPa | 371.94 | Calculated Property |
| Pvap | 553.85 | kPa | 383.22 | Calculated Property |
| Pvap | 707.51 | kPa | 394.50 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane, dodecafluoro-.
Sources
- KDB Vapor Pressure Data
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 ChEDL chemicals 1.5.2, from Marsh, K. N.; Abramson, A.; Ambrose, D.; Morton, D. W.; Nikitin, E.; Tsonopoulos, C.; Young, C. L. Vapor-Liquid Critical Properties of Elements and Compounds. 10. Organic Compounds Containing Halogens. J. Chem. Eng. Data 2007, 52, 1509-1538.
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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