- InChI
- InChI=1S/C7H6ClF/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3
- InChI Key
- FNPVYRJTBXHIPB-UHFFFAOYSA-N
- Formula
- C7H6ClF
- SMILES
- Cc1c(F)cccc1Cl
- Molecular Weight1
- 144.57
- CAS
- 443-83-4
- Other Names
-
- 1-Chloro-3-fluoro-2-methylbenzene
- 2-Chloro-6-fluorotoluene
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | -105.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -186.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.34 | kJ/mol | Joback Calculated Property |
| log10WS | -2.96 | Crippen Calculated Property | |
| logPoct/wat | 2.788 | Crippen Calculated Property | |
| McVol | 99.740 | ml/mol | McGowan Calculated Property |
| Pc | 3581.35 | kPa | Joback Calculated Property |
| Inp | [927.50; 927.50] |
|
|
| Inp | 927.50 | NIST | |
| Inp | 927.50 | NIST | |
| Inp | 927.50 | NIST | |
| Tboil | 428.20 | K | NIST |
| Tc | 643.30 | K | Joback Calculated Property |
| Tfus | 250.62 | K | Joback Calculated Property |
| Vc | 0.387 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [172.66; 221.33] | J/mol×K | [432.90; 643.30] |
|
| Cp,gas | 172.66 | J/mol×K | 432.90 | Joback Calculated Property |
| Cp,gas | 181.96 | J/mol×K | 467.97 | Joback Calculated Property |
| Cp,gas | 190.77 | J/mol×K | 503.03 | Joback Calculated Property |
| Cp,gas | 199.10 | J/mol×K | 538.10 | Joback Calculated Property |
| Cp,gas | 206.95 | J/mol×K | 573.17 | Joback Calculated Property |
| Cp,gas | 214.36 | J/mol×K | 608.23 | Joback Calculated Property |
| Cp,gas | 221.33 | J/mol×K | 643.30 | Joback Calculated Property |
| ΔfusH | 12.60 | kJ/mol | 246.00 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 1-chloro-3-fluoro-2-methyl-.
Sources
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