- InChI
- InChI=1S/C7H6F2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
- InChI Key
- YSNVKDGEALPJGC-UHFFFAOYSA-N
- Formula
- C7H6F2
- SMILES
- Cc1cc(F)ccc1F
- Molecular Weight1
- 128.12
- CAS
- 452-67-5
- Other Names
-
- Benzene, 1,4-difluoro-2-methyl-
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3197 | Relay (1.0) Calculated Property | |
| ΔfG° | -288.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -340.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.273 | Crippen Calculated Property | |
| McVol | 89.270 | ml/mol | McGowan Calculated Property |
| Pc | 3547.31 | kPa | Joback Calculated Property |
| Tboil | 390.00 | K | NIST |
| Tc | 601.55 | K | Relay (1.0) Calculated Property |
| Tfus | 227.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.342 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [157.53; 206.58] | J/mol×K | [394.74; 586.20] | 
|
| Cp,gas | 157.53 | J/mol×K | 394.74 | Joback Calculated Property |
| Cp,gas | 166.74 | J/mol×K | 426.65 | Joback Calculated Property |
| Cp,gas | 175.52 | J/mol×K | 458.56 | Joback Calculated Property |
| Cp,gas | 183.89 | J/mol×K | 490.47 | Joback Calculated Property |
| Cp,gas | 191.84 | J/mol×K | 522.38 | Joback Calculated Property |
| Cp,gas | 199.40 | J/mol×K | 554.29 | Joback Calculated Property |
| Cp,gas | 206.58 | J/mol×K | 586.20 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 390.20 | K | 103.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [288.04; 415.01] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.47467e+01 | |||
| Coefficient B | -3.44786e+03 | |||
| Coefficient C | -4.95840e+01 | |||
| Temperature range, min. | 288.04 | |||
| Temperature range, max. | 415.01 | |||
| Pvap | 1.33 | kPa | 288.04 | Calculated Property |
| Pvap | 2.99 | kPa | 302.15 | Calculated Property |
| Pvap | 6.16 | kPa | 316.26 | Calculated Property |
| Pvap | 11.79 | kPa | 330.36 | Calculated Property |
| Pvap | 21.21 | kPa | 344.47 | Calculated Property |
| Pvap | 36.18 | kPa | 358.58 | Calculated Property |
| Pvap | 58.89 | kPa | 372.69 | Calculated Property |
| Pvap | 92.02 | kPa | 386.79 | Calculated Property |
| Pvap | 138.74 | kPa | 400.90 | Calculated Property |
| Pvap | 202.66 | kPa | 415.01 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Difluorotoluene.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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