- InChI
- InChI=1S/C7H4F2O/c8-6-1-2-7(9)5(3-6)4-10/h1-4H
- InChI Key
- VVVOJODFBWBNBI-UHFFFAOYSA-N
- Formula
- C7H4F2O
- SMILES
- O=Cc1cc(F)ccc1F
- Molecular Weight1
- 142.10
- CAS
- 2646-90-4
- 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).
- Tboilr : Boiling point at reduced pressure (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° | -387.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -452.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.86 | kJ/mol | Joback Calculated Property |
| log10WS | -2.38 | Crippen Calculated Property | |
| logPoct/wat | 1.777 | Crippen Calculated Property | |
| McVol | 90.840 | ml/mol | McGowan Calculated Property |
| Pc | 3881.95 | kPa | Joback Calculated Property |
| Tboil | 443.40 | K | Joback Calculated Property |
| Tc | 641.82 | K | Joback Calculated Property |
| Tfus | 263.29 | K | Joback Calculated Property |
| Vc | 0.372 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [172.68; 215.55] | J/mol×K | [443.40; 641.82] | 
|
| Cp,gas | 172.68 | J/mol×K | 443.40 | Joback Calculated Property |
| Cp,gas | 180.87 | J/mol×K | 476.47 | Joback Calculated Property |
| Cp,gas | 188.63 | J/mol×K | 509.54 | Joback Calculated Property |
| Cp,gas | 195.96 | J/mol×K | 542.61 | Joback Calculated Property |
| Cp,gas | 202.88 | J/mol×K | 575.68 | Joback Calculated Property |
| Cp,gas | 209.41 | J/mol×K | 608.75 | Joback Calculated Property |
| Cp,gas | 215.55 | J/mol×K | 641.82 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 341.20 | K | 2.30 | NIST |
Similar Compounds
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Sources
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