- InChI
- InChI=1S/C13H13F3O3/c1-19-12(18)4-2-3-11(17)9-5-7-10(8-6-9)13(14,15)16/h5-8H,2-4H2,1H3
- InChI Key
- DYQDZAIIQQXMMY-UHFFFAOYSA-N
- Formula
- C13H13F3O3
- SMILES
-
COC(=O)CCCC(=O)c1ccc(C(F)(F)F)
cc1 - Molecular Weight1
- 274.24
- 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° | -783.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1041.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.62 | kJ/mol | Joback Calculated Property |
| log10WS | -3.77 | Crippen Calculated Property | |
| logPoct/wat | 3.231 | Crippen Calculated Property | |
| McVol | 184.590 | ml/mol | McGowan Calculated Property |
| Pc | 2149.31 | kPa | Joback Calculated Property |
| Inp | [1550.00; 1550.00] |
|
|
| Inp | 1550.00 | NIST | |
| Inp | 1550.00 | NIST | |
| Tboil | 653.24 | K | Joback Calculated Property |
| Tc | 848.91 | K | Joback Calculated Property |
| Tfus | 401.49 | K | Joback Calculated Property |
| Vc | 0.729 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [489.03; 554.15] | J/mol×K | [653.24; 848.91] |
|
| Cp,gas | 489.03 | J/mol×K | 653.24 | Joback Calculated Property |
| Cp,gas | 501.85 | J/mol×K | 685.85 | Joback Calculated Property |
| Cp,gas | 513.84 | J/mol×K | 718.46 | Joback Calculated Property |
| Cp,gas | 525.03 | J/mol×K | 751.08 | Joback Calculated Property |
| Cp,gas | 535.46 | J/mol×K | 783.69 | Joback Calculated Property |
| Cp,gas | 545.15 | J/mol×K | 816.30 | Joback Calculated Property |
| Cp,gas | 554.15 | J/mol×K | 848.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fluvoxamine, carboxylic acid (ketone), methylated.
Sources
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