- InChI
- InChI=1S/C3H3F5O/c4-2(5,1-9)3(6,7)8/h9H,1H2
- InChI Key
- PSQZJKGXDGNDFP-UHFFFAOYSA-N
- Formula
- C3H3F5O
- SMILES
- OCC(F)(F)C(F)(F)F
- Molecular Weight1
- 150.05
- CAS
- 422-05-9
- Other Names
-
- 1,1-Dihydroperfluoropropanol
- 1,1H-perfluoropropanol
- 1-Propanol, 2,2,3,3,3-pentafluoro-
- 1H,1H-Pentafluoropropanol
- 1H,1H-Pentafluoropropanol-1
- 2,2,3,3,3-pentafluoropropanol
- C2F5CH2OH
- NSC 66413
- Pentafluoropropyl alcohol
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°liquid : Liquid phase 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).
- n0 : Refractive Index.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (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 | 0.4281 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ΔcH°liquid | -1149.70 ± 2.80 | kJ/mol | NIST |
| ΔfH°liquid | -1354.70 ± 2.90 | kJ/mol | NIST |
| ΔfusH° | 8.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [41.30; 44.40] | kJ/mol |
|
| ΔvapH° | 44.38 | kJ/mol | NIST |
| ΔvapH° | 44.40 | kJ/mol | NIST |
| ΔvapH° | 41.30 | kJ/mol | NIST |
| IE | [11.20; 11.68] | eV |
|
| IE | 11.20 | eV | NIST |
| IE | 11.68 | eV | NIST |
| logPoct/wat | 1.230 | NCMS SOLV-DB | |
| McVol | 67.850 | ml/mol | McGowan Calculated Property |
| Pc | 5230.00 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tboil | [353.15; 355.00] | K |
|
| Tboil | 353.15 | K | NCMS SOLV-DB |
| Tboil | 355.00 | K | NIST |
| Tboil | 353.70 | K | NIST |
| Tc | 536.70 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tfus | 235.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.287 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [45.10; 47.00] | kJ/mol | [285.00; 313.01] |
|
| ΔvapH | 47.00 | kJ/mol | 285.00 | NIST |
| ΔvapH | 45.10 | kJ/mol | 313.01 | Vapor pressure and liquid density of fluorinated alcohols: experimental, simulation and GC-SAFT-VR predictions |
| n0 | 1.28800 | 298.15 | NCMS SOLV-DB |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 353.20 | K | 99.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [119.70; 231.06] | 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 | -1.30390e+01 | |||
| Coefficient B | 6.33400e-01 | |||
| Coefficient C | -5.95400e-04 | |||
| Coefficient D | 2.06100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 119.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 145.65 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 166.69 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 183.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 196.62 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 206.82 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 214.71 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 220.95 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 226.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 231.06 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.30; 202.63] | kPa | [273.00; 374.94] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.35801e+01 | |||
| Coefficient B | -2.22287e+03 | |||
| Coefficient C | -1.06110e+02 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 374.94 | |||
| Pvap | 1.30 | kPa | 273.00 | Calculated Property |
| Pvap | 3.03 | kPa | 284.33 | Calculated Property |
| Pvap | 6.38 | kPa | 295.65 | Calculated Property |
| Pvap | 12.35 | kPa | 306.98 | Calculated Property |
| Pvap | 22.30 | kPa | 318.31 | Calculated Property |
| Pvap | 37.92 | kPa | 329.63 | Calculated Property |
| Pvap | 61.25 | kPa | 340.96 | Calculated Property |
| Pvap | 94.68 | kPa | 352.29 | Calculated Property |
| Pvap | 140.85 | kPa | 363.61 | Calculated Property |
| Pvap | 202.63 | kPa | 374.94 | Calculated Property |
| Pvap | [1.10; 5.47] | kPa | [273.30; 296.20] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.33925e+01 | |||
| Coefficient B | -2.22286e+03 | |||
| Coefficient C | -1.06105e+02 | |||
| Reference | Meeks and Goldfarb, 1967, 2 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 273.30 | |||
| Temperature range, max. | 296.20 | |||
| Pvap | 1.10 | kPa | 273.30 | Calculated Property |
| Pvap | 1.35 | kPa | 275.84 | Calculated Property |
| Pvap | 1.63 | kPa | 278.39 | Calculated Property |
| Pvap | 1.97 | kPa | 280.93 | Calculated Property |
| Pvap | 2.36 | kPa | 283.48 | Calculated Property |
| Pvap | 2.82 | kPa | 286.02 | Calculated Property |
| Pvap | 3.35 | kPa | 288.57 | Calculated Property |
| Pvap | 3.96 | kPa | 291.11 | Calculated Property |
| Pvap | 4.67 | kPa | 293.66 | Calculated Property |
| Pvap | 5.47 | kPa | 296.20 | Calculated Property |
| Pvap | [1.10; 5.47] | kPa | [273.30; 296.20] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.33925e+01 | |||
| Coefficient B | -2.22286e+03 | |||
| Coefficient C | -1.06105e+02 | |||
| Reference | Meeks and Goldfarb, 1967 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 273.30 | |||
| Temperature range, max. | 296.20 | |||
| Pvap | 1.10 | kPa | 273.30 | Calculated Property |
| Pvap | 1.35 | kPa | 275.84 | Calculated Property |
| Pvap | 1.63 | kPa | 278.39 | Calculated Property |
| Pvap | 1.97 | kPa | 280.93 | Calculated Property |
| Pvap | 2.36 | kPa | 283.48 | Calculated Property |
| Pvap | 2.82 | kPa | 286.02 | Calculated Property |
| Pvap | 3.35 | kPa | 288.57 | Calculated Property |
| Pvap | 3.96 | kPa | 291.11 | Calculated Property |
| Pvap | 4.67 | kPa | 293.66 | Calculated Property |
| Pvap | 5.47 | kPa | 296.20 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,3,3,3-Pentafluoro-1-propanol.
Mixtures
Sources
- 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
- Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in water
- Vapor pressure and liquid density of fluorinated alcohols: experimental, simulation and GC-SAFT-VR predictions
- Joback Method
- McGowan Method
- NIST Webbook
- NCMS SOLV-DB
- The Yaws Handbook of Vapor Pressure
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