- InChI
- InChI=1S/C7H3ClF2O/c8-7(11)4-2-1-3-5(9)6(4)10/h1-3H
- InChI Key
- CDCFERWURRNLLA-UHFFFAOYSA-N
- Formula
- C7H3ClF2O
- SMILES
- O=C(Cl)c1cccc(F)c1F
- Molecular Weight1
- 176.55
- CAS
- 18355-73-2
- 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).
- 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 | 0.4382 | Relay (1.0) Calculated Property | |
| ΔfG° | -429.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -451.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.344 | Crippen Calculated Property | |
| McVol | 103.080 | ml/mol | McGowan Calculated Property |
| Pc | 3659.77 | kPa | Joback Calculated Property |
| Tboil | 454.11 | K | Relay (1.0) Calculated Property |
| Tc | 675.06 | K | Relay (1.0) Calculated Property |
| Tfus | 251.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.379 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [192.28; 233.14] | J/mol×K | [486.04; 696.07] | 
|
| Cp,gas | 192.28 | J/mol×K | 486.04 | Joback Calculated Property |
| Cp,gas | 200.24 | J/mol×K | 521.04 | Joback Calculated Property |
| Cp,gas | 207.73 | J/mol×K | 556.05 | Joback Calculated Property |
| Cp,gas | 214.74 | J/mol×K | 591.05 | Joback Calculated Property |
| Cp,gas | 221.31 | J/mol×K | 626.06 | Joback Calculated Property |
| Cp,gas | 227.44 | J/mol×K | 661.06 | Joback Calculated Property |
| Cp,gas | 233.14 | J/mol×K | 696.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Difluorobenzoyl chloride.
Sources
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