- InChI
- InChI=1S/C7H7F/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
- InChI Key
- MMZYCBHLNZVROM-UHFFFAOYSA-N
- Formula
- C7H7F
- SMILES
- Cc1ccccc1F
- Molecular Weight1
- 110.13
- CAS
- 95-52-3
- Other Names
-
- 1-FLUORO-2-METHYLBENZENE
- 1-Methyl-2-fluorobenzene
- 2-FLUOROTOLUENE
- Toluene, 2-fluoro
- Toluene, o-fluoro-
- UN 2388
- o-Fluorotoluene
- ortho-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).
- 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).
- 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 |
|---|---|---|---|
| PAff | 773.30 | kJ/mol | NIST |
| BasG | 743.80 | kJ/mol | NIST |
| ΔcH°liquid | -3779.00 | 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 | 8.91 ± 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 | [757.00; 785.00] |
|
|
| Inp | 757.00 | NIST | |
| Inp | 777.40 | NIST | |
| Inp | 785.00 | NIST | |
| Inp | 763.70 | NIST | |
| Inp | 777.00 | NIST | |
| Inp | 783.00 | NIST | |
| Inp | 767.00 | NIST | |
| Inp | 767.00 | NIST | |
| Inp | 783.00 | NIST | |
| Inp | 777.40 | NIST | |
| Inp | 757.00 | NIST | |
| Inp | 777.00 | NIST | |
| Inp | 767.00 | NIST | |
| Tboil | [387.00; 387.20] | K |
|
| Tboil | 387.00 | K | NIST |
| Tboil | 387.20 | K | NIST |
| Tc | 591.59 | K | Joback Calculated Property |
| Tfus | 208.18 | K | Joback Calculated Property |
| 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 | [9.80; 9.80] | kJ/mol | [204.00; 210.70] |
|
| ΔfusH | 9.80 | kJ/mol | 204.00 | NIST |
| ΔfusH | 9.80 | kJ/mol | 210.65 | NIST |
| ΔfusH | 9.80 | kJ/mol | 210.70 | NIST |
| ΔfusH | 9.80 | kJ/mol | 210.70 | NIST |
| ΔvapH | [31.50; 42.00] | kJ/mol | [317.50; 491.50] |
|
| ΔvapH | 40.50 | kJ/mol | 317.50 | NIST |
| ΔvapH | 42.00 | kJ/mol | 318.00 | NIST |
| ΔvapH | 38.00 | kJ/mol | 328.00 | NIST |
| ΔvapH | 38.70 | kJ/mol | 341.50 | NIST |
| ΔvapH | 31.50 | kJ/mol | 491.50 | NIST |
| ΔvapH | 32.30 | kJ/mol | 491.50 | NIST |
| ΔfusS | 46.00 | J/mol×K | 210.65 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 303.20 | K | 3.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [284.52; 412.30] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.45689e+01 | |||
| Coefficient B | -3.36273e+03 | |||
| Coefficient C | -4.90560e+01 | |||
| Temperature range, min. | 284.52 | |||
| Temperature range, max. | 412.30 | |||
| Pvap | 1.33 | kPa | 284.52 | Calculated Property |
| Pvap | 3.00 | kPa | 298.72 | Calculated Property |
| Pvap | 6.20 | kPa | 312.92 | Calculated Property |
| Pvap | 11.88 | kPa | 327.11 | Calculated Property |
| Pvap | 21.39 | kPa | 341.31 | Calculated Property |
| Pvap | 36.45 | kPa | 355.51 | Calculated Property |
| Pvap | 59.24 | kPa | 369.71 | Calculated Property |
| Pvap | 92.42 | kPa | 383.90 | Calculated Property |
| Pvap | 139.05 | kPa | 398.10 | Calculated Property |
| Pvap | 202.63 | kPa | 412.30 | Calculated Property |
| Pvap | [0.14; 223.46] | kPa | [249.15; 417.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 8.37638e+01 | |||
| Coefficient B | -7.26236e+03 | |||
| Coefficient C | -1.03591e+01 | |||
| Coefficient D | 8.94046e-06 | |||
| Temperature range, min. | 249.15 | |||
| Temperature range, max. | 417.15 | |||
| Pvap | 0.14 | kPa | 249.15 | Calculated Property |
| Pvap | 0.54 | kPa | 267.82 | Calculated Property |
| Pvap | 1.71 | kPa | 286.48 | Calculated Property |
| Pvap | 4.64 | kPa | 305.15 | Calculated Property |
| Pvap | 10.99 | kPa | 323.82 | Calculated Property |
| Pvap | 23.33 | kPa | 342.48 | Calculated Property |
| Pvap | 45.30 | kPa | 361.15 | Calculated Property |
| Pvap | 81.71 | kPa | 379.82 | Calculated Property |
| Pvap | 138.63 | kPa | 398.48 | Calculated Property |
| Pvap | 223.46 | kPa | 417.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-fluoro-2-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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