- InChI
- InChI=1S/C3H5FO/c1-3(5)2-4/h2H2,1H3
- InChI Key
- MSWVMWGCNZQPIA-UHFFFAOYSA-N
- Formula
- C3H5FO
- SMILES
- CC(=O)CF
- Molecular Weight1
- 76.07
- CAS
- 430-51-3
- Other Names
-
- 1-fluoro-2-propanone
- 2-propanone, 1-fluoro
- CH3COCH2F
- Mono-fluoroacetone
- fluoroacetone
- propanone, fluoro-
- 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).
- 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 |
|---|---|---|---|
| PAff | 795.40 | kJ/mol | NIST |
| BasG | 763.50 | kJ/mol | NIST |
| ΔfG° | -349.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -413.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 28.20 | kJ/mol | Joback Calculated Property |
| IE | [9.90; 10.20] | eV |
|
| IE | 9.90 | eV | NIST |
| IE | 10.20 | eV | NIST |
| IE | 10.20 ± 0.02 | eV | NIST |
| log10WS | -0.21 | Crippen Calculated Property | |
| logPoct/wat | 0.545 | Crippen Calculated Property | |
| McVol | 56.470 | ml/mol | McGowan Calculated Property |
| Pc | 4516.42 | kPa | Joback Calculated Property |
| Tboil | 348.20 | K | NIST |
| Tc | 489.24 | K | Joback Calculated Property |
| Tfus | 174.09 | K | Joback Calculated Property |
| Vc | 0.228 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [87.73; 116.64] | J/mol×K | [321.18; 489.24] |
|
| Cp,gas | 87.73 | J/mol×K | 321.18 | Joback Calculated Property |
| Cp,gas | 92.99 | J/mol×K | 349.19 | Joback Calculated Property |
| Cp,gas | 98.07 | J/mol×K | 377.20 | Joback Calculated Property |
| Cp,gas | 102.97 | J/mol×K | 405.21 | Joback Calculated Property |
| Cp,gas | 107.70 | J/mol×K | 433.22 | Joback Calculated Property |
| Cp,gas | 112.25 | J/mol×K | 461.23 | Joback Calculated Property |
| Cp,gas | 116.64 | J/mol×K | 489.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propanone, 1-fluoro-.
Mixtures
Sources
- Crippen Method
- Crippen Method
- Henry s Law Constants of Organic Compounds in Water and n-Octane at T = 293.2 K
- Joback Method
- McGowan Method
- NIST Webbook
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