- 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
-
- PERFLUORO-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 | 0.4502 | Relay (1.0) Calculated Property | |
| 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 | 1874.03 | kPa | Joback Calculated Property |
| Tboil | 330.91 | K | Relay (1.0) Calculated Property |
| Tc | 446.86 | K | Relay (1.0) Calculated Property |
| Tfus | 147.30 | K | Relay (1.0) Calculated Property |
| Ttriple | 157.75 ± 0.30 | K | NIST |
| Vc | 0.514 | m3/kmol | Relay (1.0) Calculated Property |
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 |
|---|---|---|---|---|
| Cp,gas | [263.70; 328.86] | J/mol×K | [307.08; 418.08] | 
|
| Cp,gas | 263.70 | J/mol×K | 307.08 | Joback Calculated Property |
| Cp,gas | 276.21 | J/mol×K | 325.58 | Joback Calculated Property |
| Cp,gas | 288.03 | J/mol×K | 344.08 | Joback Calculated Property |
| Cp,gas | 299.18 | J/mol×K | 362.58 | Joback Calculated Property |
| Cp,gas | 309.69 | J/mol×K | 381.08 | Joback Calculated Property |
| Cp,gas | 319.57 | J/mol×K | 399.58 | Joback Calculated Property |
| Cp,gas | 328.86 | J/mol×K | 418.08 | Joback Calculated Property |
| ΔvapH | 30.80 | kJ/mol | 307.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [3.00; 1652.04] | kPa | [255.00; 449.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 7.68695e+01 | |||
| Coefficient B | -6.22771e+03 | |||
| Coefficient C | -9.35671e+00 | |||
| Coefficient D | 7.68631e-06 | |||
| 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
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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