- InChI
- InChI=1S/C7H7F/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
- InChI Key
- MBXXQYJBFRRFCK-UHFFFAOYSA-N
- Formula
- C7H7F
- SMILES
- FCc1ccccc1
- Molecular Weight1
- 110.13
- CAS
- 350-50-5
- Other Names
-
- (Fluoromethyl)benzene
- Benzyl fluoride
- Toluene, «alpha»-fluoro-
- Toluene, «alpha»-fluoro-
- «alpha»-Fluorotoluene
- «alpha»-Fluorotoluene
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -3762.83 ± 0.68 | kJ/mol | NIST |
| ΔfG° | -74.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -126.27 ± 0.73 | kJ/mol | NIST |
| ΔfH°liquid | -172.59 ± 0.68 | kJ/mol | NIST |
| ΔfusH° | 11.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [44.50; 46.50] | kJ/mol |
|
| ΔvapH° | 46.20 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 46.50 | kJ/mol | NIST |
| ΔvapH° | 46.32 ± 0.26 | kJ/mol | NIST |
| ΔvapH° | 46.30 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 44.50 ± 0.40 | kJ/mol | NIST |
| IE | [9.20; 9.56] | eV |
|
| IE | 9.20 | eV | NIST |
| IE | 9.40 | eV | NIST |
| IE | 9.56 | eV | NIST |
| IE | 9.55 | eV | NIST |
| log10WS | -2.20 | Crippen Calculated Property | |
| logPoct/wat | 2.156 | Crippen Calculated Property | |
| McVol | 87.500 | ml/mol | McGowan Calculated Property |
| Pc | 3886.79 | kPa | Joback Calculated Property |
| Inp | [830.00; 864.00] |
|
|
| Inp | 830.00 | NIST | |
| Inp | 864.00 | NIST | |
| Inp | 830.00 | NIST | |
| Inp | 830.00 | NIST | |
| Tboil | [412.00; 413.00] | K |
|
| Tboil | 412.00 | K | NIST |
| Tboil | 413.00 | K | NIST |
| Tc | 584.96 | K | Joback Calculated Property |
| Tfus | 210.70 ± 0.30 | K | NIST |
| Vc | 0.338 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [146.45; 202.89] | J/mol×K | [385.51; 584.96] |
|
| Cp,gas | 146.45 | J/mol×K | 385.51 | Joback Calculated Property |
| Cp,gas | 157.30 | J/mol×K | 418.75 | Joback Calculated Property |
| Cp,gas | 167.55 | J/mol×K | 451.99 | Joback Calculated Property |
| Cp,gas | 177.20 | J/mol×K | 485.23 | Joback Calculated Property |
| Cp,gas | 186.30 | J/mol×K | 518.48 | Joback Calculated Property |
| Cp,gas | 194.85 | J/mol×K | 551.72 | Joback Calculated Property |
| Cp,gas | 202.89 | J/mol×K | 584.96 | Joback Calculated Property |
| ΔvapH | [43.70; 44.30] | kJ/mol | [327.00; 353.50] |
|
| ΔvapH | 44.30 | kJ/mol | 327.00 | NIST |
| ΔvapH | 43.70 | kJ/mol | 353.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [313.20; 413.00] | K | [1.90; 100.00] |
|
| Tboilr | 313.20 | K | 1.90 | NIST |
| Tboilr | 413.00 | K | 100.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [304.52; 438.48] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.46318e+01 | |||
| Coefficient B | -3.56474e+03 | |||
| Coefficient C | -5.60060e+01 | |||
| Temperature range, min. | 304.52 | |||
| Temperature range, max. | 438.48 | |||
| Pvap | 1.33 | kPa | 304.52 | Calculated Property |
| Pvap | 3.00 | kPa | 319.40 | Calculated Property |
| Pvap | 6.18 | kPa | 334.29 | Calculated Property |
| Pvap | 11.85 | kPa | 349.17 | Calculated Property |
| Pvap | 21.33 | kPa | 364.06 | Calculated Property |
| Pvap | 36.35 | kPa | 378.94 | Calculated Property |
| Pvap | 59.12 | kPa | 393.83 | Calculated Property |
| Pvap | 92.29 | kPa | 408.71 | Calculated Property |
| Pvap | 138.96 | kPa | 423.60 | Calculated Property |
| Pvap | 202.67 | kPa | 438.48 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (fluoromethyl)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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