- InChI
- InChI=1S/C7H7F/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
- InChI Key
- WRWPPGUCZBJXKX-UHFFFAOYSA-N
- Formula
- C7H7F
- SMILES
- Cc1ccc(F)cc1
- Molecular Weight1
- 110.13
- CAS
- 352-32-9
- Other Names
-
- 1-FLUORO-4-METHYLBENZENE
- 1-Methyl-4-fluorobenzene
- 4-FLUOROTOLUENE
- NSC 8861
- Toluene, 4-fluoro
- Toluene, p-fluoro-
- p-Fluoromethylbenzene
- p-Fluorotoluene
- para-Fluorotoluene
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- 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 |
|---|---|---|---|
| PAff | 763.80 | kJ/mol | NIST |
| BasG | 736.10 | kJ/mol | NIST |
| ΔcH°liquid | [-3777.90; -3747.20] | kJ/mol |
|
| ΔcH°liquid | -3747.20 ± 0.71 | kJ/mol | NIST |
| ΔcH°liquid | -3777.90 | kJ/mol | NIST |
| ΔfG° | -83.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -147.50 ± 0.08 | kJ/mol | NIST |
| ΔfH°liquid | -186.90 ± 0.08 | kJ/mol | NIST |
| ΔfusH° | 10.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [39.40; 39.50] | kJ/mol |
|
| ΔvapH° | 39.47 | kJ/mol | NIST |
| ΔvapH° | 39.50 | kJ/mol | NIST |
| ΔvapH° | 39.40 ± 0.08 | kJ/mol | NIST |
| IE | [8.79; 8.79] | eV |
|
| IE | 8.79 ± 0.01 | eV | NIST |
| IE | 8.79 ± 0.01 | eV | NIST |
| IE | 8.79 ± 0.01 | eV | NIST |
| log10WS | -2.28 | Crippen Calculated Property | |
| logPoct/wat | 2.134 | Crippen Calculated Property | |
| McVol | 87.500 | ml/mol | McGowan Calculated Property |
| Pc | 3815.10 | kPa | Joback Calculated Property |
| Inp | [756.00; 787.00] |
|
|
| Inp | Outlier 756.00 | NIST | |
| Inp | 777.70 | NIST | |
| Inp | 770.40 | NIST | |
| Inp | 787.00 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 777.70 | NIST | |
| S°liquid | 237.11 | J/mol×K | NIST |
| Tboil | [389.00; 389.80] | K |
|
| Tboil | 389.00 | K | NIST |
| Tboil | 389.80 | K | NIST |
| Tboil | 389.80 | K | NIST |
| Tc | 589.50 | K | NIST |
| Tfus | 215.60 ± 0.20 | K | NIST |
| Ttriple | 216.48 ± 0.01 | K | NIST |
| Vc | 0.338 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [147.93; 201.85] | J/mol×K | [390.49; 591.59] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 150 160 170 180 190 200 400 450 500 550 | ||||
| Cp,gas | 147.93 | J/mol×K | 390.49 | Joback Calculated Property |
| Cp,gas | 158.20 | J/mol×K | 424.01 | Joback Calculated Property |
| Cp,gas | 167.93 | J/mol×K | 457.52 | Joback Calculated Property |
| Cp,gas | 177.14 | J/mol×K | 491.04 | Joback Calculated Property |
| Cp,gas | 185.85 | J/mol×K | 524.56 | Joback Calculated Property |
| Cp,gas | 194.09 | J/mol×K | 558.07 | Joback Calculated Property |
| Cp,gas | 201.85 | J/mol×K | 591.59 | Joback Calculated Property |
| Cp,liquid | [171.17; 173.70] | J/mol×K | [298.15; 298.15] |
|
| Cp,liquid | 173.70 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 172.30 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 171.17 | J/mol×K | 298.15 | NIST |
| ΔfusH | [7.65; 9.35] | kJ/mol | [213.00; 216.50] |
|
|
T(K) Enthalpy of fusion at a given temperature (kJ/mol) 7.5 8 8.5 9 9.5 213 214 215 216 | ||||
| ΔfusH | 7.65 | kJ/mol | 213.00 | NIST |
| ΔfusH | 8.80 | kJ/mol | 215.55 | NIST |
| ΔfusH | 9.35 | kJ/mol | 216.49 | NIST |
| ΔfusH | 9.35 | kJ/mol | 216.50 | NIST |
| ΔfusH | 9.35 | kJ/mol | 216.50 | NIST |
| ΔvapH | [34.08; 37.00] | kJ/mol | [384.50; 389.80] |
|
| ΔvapH | 37.00 | kJ/mol | 384.50 | NIST |
| ΔvapH | 34.08 | kJ/mol | 389.80 | NIST |
| ΔfusS | [41.00; 43.19] | J/mol×K | [215.55; 216.49] |
|
| ΔfusS | 41.00 | J/mol×K | 215.55 | NIST |
| ΔfusS | 43.19 | J/mol×K | 216.49 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [285.71; 415.65] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.44160e+01 | |||
| Coefficient B | -3.32702e+03 | |||
| Coefficient C | -5.02270e+01 | |||
| Temperature range, min. | 285.71 | |||
| Temperature range, max. | 415.65 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 300 350 400 | ||||
| Pvap | 1.33 | kPa | 285.71 | Calculated Property |
| Pvap | 3.02 | kPa | 300.15 | Calculated Property |
| Pvap | 6.24 | kPa | 314.59 | Calculated Property |
| Pvap | 11.97 | kPa | 329.02 | Calculated Property |
| Pvap | 21.54 | kPa | 343.46 | Calculated Property |
| Pvap | 36.69 | kPa | 357.90 | Calculated Property |
| Pvap | 59.57 | kPa | 372.34 | Calculated Property |
| Pvap | 92.78 | kPa | 386.77 | Calculated Property |
| Pvap | 139.34 | kPa | 401.21 | Calculated Property |
| Pvap | 202.64 | kPa | 415.65 | Calculated Property |
| Pvap | [19.40; 3822.83] | kPa | [340.15; 590.48] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 7.64576e+01 | |||
| Coefficient B | -7.14432e+03 | |||
| Coefficient C | -9.12454e+00 | |||
| Coefficient D | 6.06129e-06 | |||
| Temperature range, min. | 340.15 | |||
| Temperature range, max. | 590.48 | |||
|
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 3000 3500 4000 400 500 | ||||
| Pvap | 19.40 | kPa | 340.15 | Calculated Property |
| Pvap | 52.19 | kPa | 367.96 | Calculated Property |
| Pvap | 119.49 | kPa | 395.78 | Calculated Property |
| Pvap | 241.52 | kPa | 423.59 | Calculated Property |
| Pvap | 442.94 | kPa | 451.41 | Calculated Property |
| Pvap | 752.45 | kPa | 479.22 | Calculated Property |
| Pvap | 1203.06 | kPa | 507.04 | Calculated Property |
| Pvap | 1833.05 | kPa | 534.85 | Calculated Property |
| Pvap | 2687.84 | kPa | 562.67 | Calculated Property |
| Pvap | 3822.83 | kPa | 590.48 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-fluoro-4-methyl-.
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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that the value is more than 2 standard deviations away from the
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