- InChI
- InChI=1S/C4H2ClF3/c5-2-1-4(7,8)3(2)6/h1H2
- InChI Key
- NTBUBNMKBVNZBB-UHFFFAOYSA-N
- Formula
- C4H2ClF3
- SMILES
- FC1=C(Cl)CC1(F)F
- Molecular Weight1
- 142.51
- CAS
- 694-62-2
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -559.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -613.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 26.98 | kJ/mol | Joback Calculated Property |
| log10WS | -2.56 | Crippen Calculated Property | |
| logPoct/wat | 2.445 | Crippen Calculated Property | |
| McVol | 69.610 | ml/mol | McGowan Calculated Property |
| Pc | 4067.32 | kPa | Joback Calculated Property |
| Tboil | 346.53 | K | Joback Calculated Property |
| Tc | 524.99 | K | Joback Calculated Property |
| Tfus | 230.65 | K | Joback Calculated Property |
| Vc | 0.295 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [115.69; 149.37] | J/mol×K | [346.53; 524.99] | 
|
| Cp,gas | 115.69 | J/mol×K | 346.53 | Joback Calculated Property |
| Cp,gas | 122.82 | J/mol×K | 376.27 | Joback Calculated Property |
| Cp,gas | 129.27 | J/mol×K | 406.02 | Joback Calculated Property |
| Cp,gas | 135.08 | J/mol×K | 435.76 | Joback Calculated Property |
| Cp,gas | 140.33 | J/mol×K | 465.50 | Joback Calculated Property |
| Cp,gas | 145.08 | J/mol×K | 495.25 | Joback Calculated Property |
| Cp,gas | 149.37 | J/mol×K | 524.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Chloro-2,3,3-trifluorocyclobutene.
Sources
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