- InChI
- InChI=1S/C6F14/c7-1(4(12,13)14,2(8,9)5(15,16)17)3(10,11)6(18,19)20
- InChI Key
- GXSFAIDPYIEIEF-UHFFFAOYSA-N
- Formula
- C6F14
- SMILES
-
FC(F)(F)C(F)(F)C(F)(C(F)(F)F)C
(F)(F)C(F)(F)F - Molecular Weight1
- 338.04
- CAS
- 865-71-4
- Other Names
-
- 3-Trifluoromethylper-fluoropentane
- PERFLUORO-3-METHYLPENTANE
- tetradecafluoro-3-methylpentane
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- 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 |
|---|---|---|---|
| ω | [0.4733; 0.4760] |
|
|
| ω | 0.4733 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ω | 0.4760 | KDB | |
| ΔfG° | -2710.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2990.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.77 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.652 | Crippen Calculated Property | |
| McVol | 120.180 | ml/mol | McGowan Calculated Property |
| Pc | [1690.00; 1692.00] | kPa |
|
| Pc | 1690.00 | kPa | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value |
| Pc | 1692.00 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 1690.00 | kPa | KDB |
| Tboil | 331.52 | K | KDB |
| Tc | [450.00; 450.00] | K |
|
| Tc | 450.00 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value |
| Tc | 450.00 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 450.00 | K | KDB |
| Tfus | 158.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Ttriple | [157.75; 157.76] | K |
|
| Ttriple | 157.76 | K | Staveley, Lobo and Calado (1981), triple points Compiled value |
| Ttriple | 157.75 ± 0.30 | K | NIST |
| Vc | 0.555 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
Cheméo can also estimate Log10 of Water solubility in mol/l 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 |
|---|---|---|---|---|
| ΔvapH | 30.80 | kJ/mol | 307.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [238.79; 436.67] | 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 | -6.41300e+01 | |||
| Coefficient B | 1.49380e+00 | |||
| Coefficient C | -1.56300e-03 | |||
| Coefficient D | 5.70000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 238.79 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 293.96 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 336.63 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 368.60 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 391.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 407.65 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 418.34 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 425.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 431.04 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 436.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.62] | kPa | [245.24; 348.58] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.56135e+01 | |||
| Coefficient B | -3.24785e+03 | |||
| Coefficient C | -3.33210e+01 | |||
| Temperature range, min. | 245.24 | |||
| Temperature range, max. | 348.58 | |||
| Pvap | 1.33 | kPa | 245.24 | Calculated Property |
| Pvap | 2.93 | kPa | 256.72 | Calculated Property |
| Pvap | 5.97 | kPa | 268.20 | Calculated Property |
| Pvap | 11.36 | kPa | 279.69 | Calculated Property |
| Pvap | 20.44 | kPa | 291.17 | Calculated Property |
| Pvap | 34.97 | kPa | 302.65 | Calculated Property |
| Pvap | 57.26 | kPa | 314.13 | Calculated Property |
| Pvap | 90.19 | kPa | 325.62 | Calculated Property |
| Pvap | 137.27 | kPa | 337.10 | Calculated Property |
| Pvap | 202.62 | kPa | 348.58 | Calculated Property |
| Pvap | [3.00; 1652.04] | kPa | [255.00; 449.15] |
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 | 7.68695e+01 | |||
| Coefficient B | -6.22771e+03 | |||
| Coefficient C | -9.35671e+00 | |||
| Coefficient D | 7.68631e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 255.00 | |||
| Temperature range, max. | 449.15 | |||
| Pvap | 3.00 | kPa | 255.00 | Calculated Property |
| Pvap | 10.30 | kPa | 276.57 | Calculated Property |
| Pvap | 28.61 | kPa | 298.14 | Calculated Property |
| Pvap | 67.50 | kPa | 319.72 | Calculated Property |
| Pvap | 140.05 | kPa | 341.29 | Calculated Property |
| Pvap | 262.46 | kPa | 362.86 | Calculated Property |
| Pvap | 453.38 | kPa | 384.43 | Calculated Property |
| Pvap | 733.39 | kPa | 406.01 | Calculated Property |
| Pvap | 1124.84 | kPa | 427.58 | Calculated Property |
| Pvap | 1652.04 | kPa | 449.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1,1,2,2,3,4,4,5,5,5-undecafluoro-3-(trifluoromethyl)pentane.
Sources
- KDB Vapor Pressure Data
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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.
- Staveley, Lobo and Calado (1981), triple points ChEDL chemicals 1.5.2, from Staveley, L. A. K.; Lobo, L. Q.; Calado, J. C. G. Triple-Points of Low Melting Substances and Their Use in Cryogenic Work. Cryogenics 1981, 21, 131-144.
- 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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