- InChI
- InChI=1S/C3H4F2O/c4-1-3(6)2-5/h1-2H2
- InChI Key
- HKIPCXRNASWFRU-UHFFFAOYSA-N
- Formula
- C3H4F2O
- SMILES
- O=C(CF)CF
- Molecular Weight1
- 94.06
- CAS
- 453-14-5
- Other Names
-
- (CH2F)2CO
- 1,3-Difluoroacetone
- sym-Difluoroacetone
- 1,3-Difluoro-2-propanone
- 1,3-Difluoropropan-2-one
- CFH2COCFH2
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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 |
|---|---|---|---|
| PAff | 762.80 | kJ/mol | NIST |
| BasG | 733.00 | kJ/mol | NIST |
| ΔfG° | -544.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -610.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 27.38 | kJ/mol | Joback Calculated Property |
| log10WS | -0.07 | Crippen Calculated Property | |
| logPoct/wat | 0.494 | Crippen Calculated Property | |
| McVol | 58.240 | ml/mol | McGowan Calculated Property |
| Pc | 4255.16 | kPa | Joback Calculated Property |
| Tboil | 320.45 | K | Joback Calculated Property |
| Tc | 479.02 | K | Joback Calculated Property |
| Tfus | 174.68 | K | Joback Calculated Property |
| Vc | 0.245 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [95.95; 123.64] | J/mol×K | [320.45; 479.02] | 
|
| Cp,gas | 95.95 | J/mol×K | 320.45 | Joback Calculated Property |
| Cp,gas | 101.00 | J/mol×K | 346.88 | Joback Calculated Property |
| Cp,gas | 105.87 | J/mol×K | 373.31 | Joback Calculated Property |
| Cp,gas | 110.56 | J/mol×K | 399.74 | Joback Calculated Property |
| Cp,gas | 115.09 | J/mol×K | 426.17 | Joback Calculated Property |
| Cp,gas | 119.45 | J/mol×K | 452.59 | Joback Calculated Property |
| Cp,gas | 123.64 | J/mol×K | 479.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propanone, 1,3-difluoro-.
Sources
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