- InChI
- InChI=1S/C7H7F/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
- InChI Key
- BTQZKHUEUDPRST-UHFFFAOYSA-N
- Formula
- C7H7F
- SMILES
- Cc1cccc(F)c1
- Molecular Weight1
- 110.13
- CAS
- 352-70-5
- Other Names
-
- 1-FLUORO-3-METHYLBENZENE
- 1-Methyl-3-fluorobenzene
- 3-FLUOROTOLUENE
- Toluene, 3-fluoro
- Toluene, m-fluoro-
- UN 2388
- m-Fluorotoluene
- meta-Fluorotoluene
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (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).
- 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).
- 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 |
|---|---|---|---|
| PAff | 785.40 | kJ/mol | NIST |
| BasG | 756.00 | kJ/mol | NIST |
| ΔfG° | -83.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -158.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.30 | kJ/mol | Joback Calculated Property |
| IE | [8.91; 8.92] | eV |
|
| IE | 8.91 ± 0.01 | eV | NIST |
| IE | 8.92 ± 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; 783.00] |
|
|
| Inp | 756.00 | NIST | |
| Inp | 778.00 | NIST | |
| Inp | 761.60 | NIST | |
| Inp | 774.00 | NIST | |
| Inp | 783.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 778.00 | NIST | |
| Tboil | [389.20; 389.50] | K |
|
| Tboil | 389.50 ± 0.50 | K | NIST |
| Tboil | 389.20 | K | NIST |
| Tc | 591.59 | K | Joback Calculated Property |
| Tfus | [162.35; 184.00] | K |
|
| Tfus | 184.00 ± 0.40 | K | NIST |
| Tfus | 162.35 ± 0.30 | 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] |
|
| 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 |
| ΔfusH | [6.31; 8.30] | kJ/mol | [183.95; 185.00] |
|
| ΔfusH | 8.30 | kJ/mol | 183.95 | NIST |
| ΔfusH | 8.30 | kJ/mol | 184.00 | NIST |
| ΔfusH | 8.30 | kJ/mol | 184.00 | NIST |
| ΔfusH | 6.31 | kJ/mol | 185.00 | NIST |
| ΔvapH | [39.20; 41.60] | kJ/mol | [319.50; 341.50] |
|
| ΔvapH | 40.70 | kJ/mol | 319.50 | NIST |
| ΔvapH | 41.60 | kJ/mol | 320.00 | NIST |
| ΔvapH | 39.20 | kJ/mol | 341.50 | NIST |
| ΔfusS | 45.00 | J/mol×K | 183.95 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [284.52; 415.66] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43319e+01 | |||
| Coefficient B | -3.30694e+03 | |||
| Coefficient C | -4.90560e+01 | |||
| Temperature range, min. | 284.52 | |||
| Temperature range, max. | 415.66 | |||
| Pvap | 1.33 | kPa | 284.52 | Calculated Property |
| Pvap | 3.02 | kPa | 299.09 | Calculated Property |
| Pvap | 6.26 | kPa | 313.66 | Calculated Property |
| Pvap | 12.02 | kPa | 328.23 | Calculated Property |
| Pvap | 21.63 | kPa | 342.80 | Calculated Property |
| Pvap | 36.83 | kPa | 357.38 | Calculated Property |
| Pvap | 59.76 | kPa | 371.95 | Calculated Property |
| Pvap | 92.99 | kPa | 386.52 | Calculated Property |
| Pvap | 139.50 | kPa | 401.09 | Calculated Property |
| Pvap | 202.64 | kPa | 415.66 | Calculated Property |
| Pvap | [5.06; 22.47] | kPa | [308.15; 343.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 4.94401e+00 | |||
| Coefficient B | -4.03266e+03 | |||
| Coefficient C | 1.72591e+00 | |||
| Coefficient D | -1.32384e-06 | |||
| Temperature range, min. | 308.15 | |||
| Temperature range, max. | 343.15 | |||
| Pvap | 5.06 | kPa | 308.15 | Calculated Property |
| Pvap | 6.07 | kPa | 312.04 | Calculated Property |
| Pvap | 7.25 | kPa | 315.93 | Calculated Property |
| Pvap | 8.62 | kPa | 319.82 | Calculated Property |
| Pvap | 10.21 | kPa | 323.71 | Calculated Property |
| Pvap | 12.04 | kPa | 327.59 | Calculated Property |
| Pvap | 14.15 | kPa | 331.48 | Calculated Property |
| Pvap | 16.56 | kPa | 335.37 | Calculated Property |
| Pvap | 19.33 | kPa | 339.26 | Calculated Property |
| Pvap | 22.47 | kPa | 343.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-fluoro-3-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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