- InChI
- InChI=1S/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2
- InChI Key
- WXJFKAZDSQLPBX-UHFFFAOYSA-N
- Formula
- C4H3F7O
- SMILES
- OCC(F)(F)C(F)(F)C(F)(F)F
- Molecular Weight1
- 200.05
- CAS
- 375-01-9
- Other Names
-
- 1,1-Dihydroperfluorobutanol
- 1,1-Dihydroperfluorobutyl alcohol
- 1,1-H,H-Heptafluorobutanol
- 1,1H-perfluorobutanol
- 1-Butanol, 2,2,3,3,4,4,4-heptafluoro-
- 1H,1H-Heptafluoro-1-butanol
- 1H,1H-Heptafluorobutanol-1
- 2,2,3,3,4,4,4-Heptafluoro-1-butanol
- 2,2,3,3,4,4,4-heptafluorobutan-1-ol
- 2,2,3,3,4,4,4-heptafluorobutanol
- NSC 60528
- Perfluoro-1,1-dihydrobutanol
- butanol, 2,2,3,3,4,4,4-heptafluoro-
- «alpha»,«alpha»-Dihydroperfluorobutanol
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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).
- ρl : Liquid Density (kg/m3).
- Tboil : Normal Boiling Point Temperature (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 | 0.5362 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -1474.00 ± 6.30 | kJ/mol | NIST |
| ΔfH°gas | -1723.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -1781.90 ± 6.30 | kJ/mol | NIST |
| ΔfusH° | 9.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.20 | eV | NIST |
| logPoct/wat | 1.812 | Crippen Calculated Property | |
| McVol | 85.480 | ml/mol | McGowan Calculated Property |
| Pc | 3199.16 | kPa | Joback Calculated Property |
| Tboil | [368.20; 369.70] | K |
|
| Tboil | 369.70 | K | NIST |
| Tboil | 369.50 ± 0.50 | K | NIST |
| Tboil | 368.80 ± 0.80 | K | NIST |
| Tboil | 368.20 | K | NIST |
| Tc | 484.64 | K | Relay (1.0) Calculated Property |
| Tfus | 217.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.336 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [43.60; 48.30] | kJ/mol | [285.50; 303.05] |
|
| ΔvapH | 43.60 | kJ/mol | 285.50 | NIST |
| ΔvapH | 48.30 | kJ/mol | 303.05 | Vapor pressure and liquid density of fluorinated alcohols: experimental, simulation and GC-SAFT-VR predictions |
| ρl | 1580.00 | kg/m3 | 293.15 | Isothermal Vapor-Liquid Equilibrium Data for the Binary Systems Consisting of 1,1,2,3,3,3-Hexafluoro-1-propene and Either Methylcyclohexane, Cyclohexane, n-Hexane, 2-Methyltetrahydrofuran, or 2,2,3,3,4,4,4-Heptafluoro-1-butanol |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [155.85; 298.26] | 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 | -2.62390e+01 | |||
| Coefficient B | 8.77800e-01 | |||
| Coefficient C | -8.54400e-04 | |||
| Coefficient D | 3.01100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 155.85 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 190.70 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 218.58 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 240.43 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 257.20 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 269.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 279.33 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 286.59 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 292.58 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 298.26 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.71; 202.68] | kPa | [273.00; 386.99] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.88598e+01 | |||
| Coefficient B | -5.24299e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 386.99 | |||
| Pvap | 0.71 | kPa | 273.00 | Calculated Property |
| Pvap | 1.66 | kPa | 285.67 | Calculated Property |
| Pvap | 3.62 | kPa | 298.33 | Calculated Property |
| Pvap | 7.40 | kPa | 311.00 | Calculated Property |
| Pvap | 14.31 | kPa | 323.66 | Calculated Property |
| Pvap | 26.33 | kPa | 336.33 | Calculated Property |
| Pvap | 46.37 | kPa | 348.99 | Calculated Property |
| Pvap | 78.47 | kPa | 361.66 | Calculated Property |
| Pvap | 128.15 | kPa | 374.32 | Calculated Property |
| Pvap | 202.68 | kPa | 386.99 | Calculated Property |
| Pvap | [0.84; 4.34] | kPa | [273.00; 297.90] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 6.48588e+00 | |||
| Coefficient B | -5.06910e+02 | |||
| Coefficient C | -1.96864e+02 | |||
| Reference | Meeks and Goldfarb, 1967, 2 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 297.90 | |||
| Pvap | 0.84 | kPa | 273.00 | Calculated Property |
| Pvap | 1.06 | kPa | 275.77 | Calculated Property |
| Pvap | 1.32 | kPa | 278.53 | Calculated Property |
| Pvap | 1.62 | kPa | 281.30 | Calculated Property |
| Pvap | 1.96 | kPa | 284.07 | Calculated Property |
| Pvap | 2.34 | kPa | 286.83 | Calculated Property |
| Pvap | 2.77 | kPa | 289.60 | Calculated Property |
| Pvap | 3.25 | kPa | 292.37 | Calculated Property |
| Pvap | 3.77 | kPa | 295.13 | Calculated Property |
| Pvap | 4.34 | kPa | 297.90 | Calculated Property |
| Pvap | [0.84; 4.34] | kPa | [273.00; 297.90] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 6.48588e+00 | |||
| Coefficient B | -5.06910e+02 | |||
| Coefficient C | -1.96864e+02 | |||
| Reference | Meeks and Goldfarb, 1967 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 297.90 | |||
| Pvap | 0.84 | kPa | 273.00 | Calculated Property |
| Pvap | 1.06 | kPa | 275.77 | Calculated Property |
| Pvap | 1.32 | kPa | 278.53 | Calculated Property |
| Pvap | 1.62 | kPa | 281.30 | Calculated Property |
| Pvap | 1.96 | kPa | 284.07 | Calculated Property |
| Pvap | 2.34 | kPa | 286.83 | Calculated Property |
| Pvap | 2.77 | kPa | 289.60 | Calculated Property |
| Pvap | 3.25 | kPa | 292.37 | Calculated Property |
| Pvap | 3.77 | kPa | 295.13 | Calculated Property |
| Pvap | 4.34 | kPa | 297.90 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,3,3,4,4,4-Heptafluoro-butanol.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- 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
- Isothermal Vapor-Liquid Equilibrium Data for the Binary Systems Consisting of 1,1,2,3,3,3-Hexafluoro-1-propene and Either Methylcyclohexane, Cyclohexane, n-Hexane, 2-Methyltetrahydrofuran, or 2,2,3,3,4,4,4-Heptafluoro-1-butanol
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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