- InChI
- InChI=1S/C13H15F3O2/c1-18-9-3-2-4-12(17)10-5-7-11(8-6-10)13(14,15)16/h5-8H,2-4,9H2,1H3
- InChI Key
- VYKSRLDHXQURKA-UHFFFAOYSA-N
- Formula
- C13H15F3O2
- SMILES
- COCCCCC(=O)c1ccc(C(F)(F)F)cc1
- Molecular Weight1
- 260.25
- 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).
- Inp : Non-polar retention indices.
- 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° | -654.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -928.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.88 | kJ/mol | Joback Calculated Property |
| log10WS | -4.00 | Crippen Calculated Property | |
| logPoct/wat | 3.705 | Crippen Calculated Property | |
| McVol | 183.020 | ml/mol | McGowan Calculated Property |
| Pc | 2029.06 | kPa | Joback Calculated Property |
| Inp | 1525.00 | NIST | |
| Tboil | 599.37 | K | Joback Calculated Property |
| Tc | 787.79 | K | Joback Calculated Property |
| Tfus | 351.56 | K | Joback Calculated Property |
| Vc | 0.723 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [470.59; 544.23] | J/mol×K | [599.37; 787.79] | 
|
| Cp,gas | 470.59 | J/mol×K | 599.37 | Joback Calculated Property |
| Cp,gas | 484.82 | J/mol×K | 630.77 | Joback Calculated Property |
| Cp,gas | 498.23 | J/mol×K | 662.18 | Joback Calculated Property |
| Cp,gas | 510.85 | J/mol×K | 693.58 | Joback Calculated Property |
| Cp,gas | 522.70 | J/mol×K | 724.98 | Joback Calculated Property |
| Cp,gas | 533.81 | J/mol×K | 756.38 | Joback Calculated Property |
| Cp,gas | 544.23 | J/mol×K | 787.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fluvoxamine (ketone).
Sources
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