- InChI
- InChI=1S/C8H9F/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3
- InChI Key
- AWLDSXJCQWTJPC-UHFFFAOYSA-N
- Formula
- C8H9F
- SMILES
- Cc1cccc(F)c1C
- Molecular Weight1
- 124.16
- CAS
- 443-82-3
- Other Names
-
- 1-Fluoro-2,3-dimethylbenzene
- 2,3-Dimethylfluorobenzene
- 3-Fluoro-1,2-xylene
- Benzene, 1-fluoro-2,3-dimethyl-
- o-Xylene, 3-fluoro-
- 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).
- 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 | 0.3137 | Relay (1.0) Calculated Property | |
| ΔfG° | -85.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -204.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.443 | Crippen Calculated Property | |
| McVol | 101.590 | ml/mol | McGowan Calculated Property |
| Pc | 3341.24 | kPa | Joback Calculated Property |
| Tboil | 423.20 | K | NIST |
| Tc | 637.90 | K | Relay (1.0) Calculated Property |
| Tfus | 250.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.377 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [131.24; 314.52] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.60000e+00 | |||
| Coefficient B | 5.77740e-01 | |||
| Coefficient C | -3.24920e-04 | |||
| Coefficient D | 6.53000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 131.24 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 163.02 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 191.46 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 216.78 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 239.17 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 258.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 276.01 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 290.88 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 303.64 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 314.52 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [312.52; 450.55] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.45466e+01 | |||
| Coefficient B | -3.61799e+03 | |||
| Coefficient C | -5.87860e+01 | |||
| Temperature range, min. | 312.52 | |||
| Temperature range, max. | 450.55 | |||
| Pvap | 1.33 | kPa | 312.52 | Calculated Property |
| Pvap | 3.01 | kPa | 327.86 | Calculated Property |
| Pvap | 6.21 | kPa | 343.19 | Calculated Property |
| Pvap | 11.90 | kPa | 358.53 | Calculated Property |
| Pvap | 21.41 | kPa | 373.87 | Calculated Property |
| Pvap | 36.48 | kPa | 389.20 | Calculated Property |
| Pvap | 59.29 | kPa | 404.54 | Calculated Property |
| Pvap | 92.48 | kPa | 419.88 | Calculated Property |
| Pvap | 139.10 | kPa | 435.21 | Calculated Property |
| Pvap | 202.64 | kPa | 450.55 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluoro-o-xylene.
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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