- InChI
- InChI=1S/C6H13F/c1-2-3-4-5-6-7/h2-6H2,1H3
- InChI Key
- OFERIJCSHDJMSA-UHFFFAOYSA-N
- Formula
- C6H13F
- SMILES
- CCCCCCF
- Molecular Weight1
- 104.17
- CAS
- 373-14-8
- Other Names
-
- 1-Fluorohexane
- Fluorohexane
- Hexyl fluoride
- N-HEXYL FLUORIDE
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -195.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -363.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 28.13 | kJ/mol | Joback Calculated Property |
| log10WS | -2.19 | Crippen Calculated Property | |
| logPoct/wat | 2.536 | Crippen Calculated Property | |
| McVol | 97.170 | ml/mol | McGowan Calculated Property |
| Pc | 2956.90 | kPa | Joback Calculated Property |
| Inp | [656.80; 704.00] |
|
|
| Inp | 656.80 | NIST | |
| Inp | 658.00 | NIST | |
| Inp | 704.00 | NIST | |
| Inp | 656.80 | NIST | |
| Tboil | [364.70; 366.52] | K |
|
| Tboil | 366.52 | K | KDB |
| Tboil | 364.70 | K | NIST |
| Tc | 490.31 | K | Joback Calculated Property |
| Tfus | 157.97 | K | Joback Calculated Property |
| Vc | 0.390 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [166.76; 221.73] | J/mol×K | [335.95; 490.31] |
|
| Cp,gas | 166.76 | J/mol×K | 335.95 | Joback Calculated Property |
| Cp,gas | 176.71 | J/mol×K | 361.68 | Joback Calculated Property |
| Cp,gas | 186.35 | J/mol×K | 387.40 | Joback Calculated Property |
| Cp,gas | 195.66 | J/mol×K | 413.13 | Joback Calculated Property |
| Cp,gas | 204.65 | J/mol×K | 438.85 | Joback Calculated Property |
| Cp,gas | 213.34 | J/mol×K | 464.58 | Joback Calculated Property |
| Cp,gas | 221.73 | J/mol×K | 490.31 | Joback Calculated Property |
| ΔvapH | 36.90 | kJ/mol | 330.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [266.72; 388.93] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.45279e+01 | |||
| Coefficient B | -3.19264e+03 | |||
| Coefficient C | -4.25230e+01 | |||
| Temperature range, min. | 266.72 | |||
| Temperature range, max. | 388.93 | |||
| Pvap | 1.33 | kPa | 266.72 | Calculated Property |
| Pvap | 3.01 | kPa | 280.30 | Calculated Property |
| Pvap | 6.21 | kPa | 293.88 | Calculated Property |
| Pvap | 11.91 | kPa | 307.46 | Calculated Property |
| Pvap | 21.43 | kPa | 321.04 | Calculated Property |
| Pvap | 36.51 | kPa | 334.61 | Calculated Property |
| Pvap | 59.33 | kPa | 348.19 | Calculated Property |
| Pvap | 92.52 | kPa | 361.77 | Calculated Property |
| Pvap | 139.14 | kPa | 375.35 | Calculated Property |
| Pvap | 202.65 | kPa | 388.93 | Calculated Property |
| Pvap | [1.96; 197.62] | kPa | [273.15; 388.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 8.96315e+01 | |||
| Coefficient B | -7.21639e+03 | |||
| Coefficient C | -1.12783e+01 | |||
| Coefficient D | 9.82988e-06 | |||
| Temperature range, min. | 273.15 | |||
| Temperature range, max. | 388.15 | |||
| Pvap | 1.96 | kPa | 273.15 | Calculated Property |
| Pvap | 4.09 | kPa | 285.93 | Calculated Property |
| Pvap | 7.92 | kPa | 298.71 | Calculated Property |
| Pvap | 14.36 | kPa | 311.48 | Calculated Property |
| Pvap | 24.63 | kPa | 324.26 | Calculated Property |
| Pvap | 40.25 | kPa | 337.04 | Calculated Property |
| Pvap | 63.04 | kPa | 349.82 | Calculated Property |
| Pvap | 95.16 | kPa | 362.59 | Calculated Property |
| Pvap | 139.09 | kPa | 375.37 | Calculated Property |
| Pvap | 197.62 | kPa | 388.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 1-fluoro-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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