- InChI
- InChI=1S/C6H4F2/c7-5-2-1-3-6(8)4-5/h1-4H
- InChI Key
- UEMGWPRHOOEKTA-UHFFFAOYSA-N
- Formula
- C6H4F2
- SMILES
- Fc1cccc(F)c1
- Molecular Weight1
- 114.09
- CAS
- 372-18-9
- Other Names
-
- 1,3-DIFLUOROBENZENE
- Benzene, m-difluoro-
- m-Difluorobenzene
- meta-Difluorobenzene
- ω : Acentric Factor.
- 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).
- ρl : Liquid Density (kg/m3).
- 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 |
|---|---|---|---|
| ω | 0.2763 | Relay (1.0) Calculated Property | |
| PAff | 749.70 | kJ/mol | NIST |
| BasG | 722.00 | kJ/mol | NIST |
| ΔcH°liquid | -2946.70 ± 0.71 | kJ/mol | NIST |
| ΔfG° | -287.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -309.20 ± 1.00 | kJ/mol | NIST |
| ΔfH°liquid | -343.90 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 11.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [34.55; 34.70] | kJ/mol |
|
| ΔvapH° | 34.69 | kJ/mol | NIST |
| ΔvapH° | 34.60 | kJ/mol | NIST |
| ΔvapH° | 34.55 | kJ/mol | NIST |
| ΔvapH° | 34.70 ± 0.20 | kJ/mol | NIST |
| IE | [9.20; 9.78] | eV |
|
| IE | 9.33 ± 0.02 | eV | NIST |
| IE | 9.20 | eV | NIST |
| IE | 9.33 ± 0.00 | eV | NIST |
| IE | 9.35 | eV | NIST |
| IE | 9.78 ± 0.02 | eV | NIST |
| IE | 9.32 | eV | NIST |
| IE | 9.60 ± 0.03 | eV | NIST |
| log10WS | [-2.00; -2.00] |
|
|
| log10WS | -2.00 | Aq. Solubility Prediction | |
| log10WS | -2.00 | Estimated Solubility | |
| logPoct/wat | 1.965 | Crippen Calculated Property | |
| McVol | 75.180 | ml/mol | McGowan Calculated Property |
| Pc | 4067.32 | kPa | Joback Calculated Property |
| Inp | [641.70; 644.00] |
|
|
| Inp | 641.70 | NIST | |
| Inp | 644.00 | NIST | |
| Inp | 644.00 | NIST | |
| S°liquid | 223.84 | J/mol×K | NIST |
| Tboil | [355.00; 356.20] | K |
|
| Tboil | 355.00 ± 1.00 | K | NIST |
| Tboil | 356.20 | K | NIST |
| Tboil | 355.70 | K | NIST |
| Tc | 561.31 | K | Relay (1.0) Calculated Property |
| Tfus | 210.56 | K | Relay (1.0) Calculated Property |
| Ttriple | [204.03; 204.03] | K |
|
| Ttriple | 204.03 | K | KDB |
| Ttriple | 204.03 ± 0.02 | K | NIST |
| Vc | 0.291 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [121.64; 165.34] | J/mol×K | [366.88; 557.84] |
|
| Cp,gas | 121.64 | J/mol×K | 366.88 | Joback Calculated Property |
| Cp,gas | 129.96 | J/mol×K | 398.71 | Joback Calculated Property |
| Cp,gas | 137.84 | J/mol×K | 430.53 | Joback Calculated Property |
| Cp,gas | 145.31 | J/mol×K | 462.36 | Joback Calculated Property |
| Cp,gas | 152.37 | J/mol×K | 494.18 | Joback Calculated Property |
| Cp,gas | 159.04 | J/mol×K | 526.01 | Joback Calculated Property |
| Cp,gas | 165.34 | J/mol×K | 557.84 | Joback Calculated Property |
| Cp,liquid | [157.50; 159.11] | J/mol×K | [298.15; 298.15] |
|
| Cp,liquid | 159.11 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 157.50 | J/mol×K | 298.15 | NIST |
| ΔfusH | [0.83; 8.58] | kJ/mol | [186.80; 204.00] |
|
| ΔfusH | 0.83 | kJ/mol | 186.80 | NIST |
| ΔfusH | 8.58 | kJ/mol | 204.00 | NIST |
| ΔfusH | 8.58 | kJ/mol | 204.00 | NIST |
| ΔvapH | 31.10 | kJ/mol | 355.70 | NIST |
| ρl | [1094.00; 1139.00] | kg/m3 | [296.20; 330.60] |
|
| ρl | 1139.00 | kg/m3 | 296.20 | Liquid-Liquid Equilibria in Binary Mixtures Containing Fluorinated Benzenes and Ionic Liquid 1-Ethyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide |
| ρl | 1094.00 | kg/m3 | 330.60 | Liquid-Liquid Equilibria in Binary Mixtures Containing Fluorinated Benzenes and Ionic Liquid 1-Ethyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide |
| ΔfusS | [4.43; 42.05] | J/mol×K | [186.80; 204.00] |
|
| ΔfusS | 4.43 | J/mol×K | 186.80 | NIST |
| ΔfusS | 42.05 | J/mol×K | 204.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [266.21; 376.18] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.55597e+01 | |||
| Coefficient B | -3.42581e+03 | |||
| Coefficient C | -4.18950e+01 | |||
| Temperature range, min. | 266.21 | |||
| Temperature range, max. | 376.18 | |||
| Pvap | 1.33 | kPa | 266.21 | Calculated Property |
| Pvap | 2.93 | kPa | 278.43 | Calculated Property |
| Pvap | 5.98 | kPa | 290.65 | Calculated Property |
| Pvap | 11.39 | kPa | 302.87 | Calculated Property |
| Pvap | 20.49 | kPa | 315.09 | Calculated Property |
| Pvap | 35.04 | kPa | 327.30 | Calculated Property |
| Pvap | 57.36 | kPa | 339.52 | Calculated Property |
| Pvap | 90.31 | kPa | 351.74 | Calculated Property |
| Pvap | 137.38 | kPa | 363.96 | Calculated Property |
| Pvap | 202.67 | kPa | 376.18 | Calculated Property |
| Pvap | [16.76; 4199.11] | kPa | [309.15; 552.94] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 9.46186e+01 | |||
| Coefficient B | -7.08505e+03 | |||
| Coefficient C | -1.22131e+01 | |||
| Coefficient D | 1.19919e-05 | |||
| Temperature range, min. | 309.15 | |||
| Temperature range, max. | 552.94 | |||
| Pvap | 16.76 | kPa | 309.15 | Calculated Property |
| Pvap | 46.95 | kPa | 336.24 | Calculated Property |
| Pvap | 110.05 | kPa | 363.33 | Calculated Property |
| Pvap | 226.01 | kPa | 390.41 | Calculated Property |
| Pvap | 420.39 | kPa | 417.50 | Calculated Property |
| Pvap | 725.90 | kPa | 444.59 | Calculated Property |
| Pvap | 1185.49 | kPa | 471.68 | Calculated Property |
| Pvap | 1857.42 | kPa | 498.76 | Calculated Property |
| Pvap | 2823.15 | kPa | 525.85 | Calculated Property |
| Pvap | 4199.11 | kPa | 552.94 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,3-difluoro-.
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Liquid-Liquid Equilibria in Binary Mixtures Containing Fluorinated Benzenes and Ionic Liquid 1-Ethyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.