- InChI
- InChI=1S/C18H25F3O/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(14-12-15)17(22)18(19,20)21/h11-14H,2-10H2,1H3
- InChI Key
- GJNWUVBDBVUZKP-UHFFFAOYSA-N
- Formula
- C18H25F3O
- SMILES
-
CCCCCCCCCCc1ccc(C(=O)C(F)(F)F)
cc1 - Molecular Weight1
- 314.39
- CAS
- 100444-41-5
- 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 |
|---|---|---|---|
| ΔfG° | -507.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -899.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.60 | kJ/mol | Joback Calculated Property |
| log10WS | -6.95 | Crippen Calculated Property | |
| logPoct/wat | 6.115 | Crippen Calculated Property | |
| McVol | 247.600 | ml/mol | McGowan Calculated Property |
| Pc | 1389.18 | kPa | Joback Calculated Property |
| Tboil | 691.35 | K | Joback Calculated Property |
| Tc | 873.41 | K | Joback Calculated Property |
| Tfus | 385.68 | K | Joback Calculated Property |
| Vc | 0.985 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [706.72; 793.33] | J/mol×K | [691.35; 873.41] | 
|
| Cp,gas | 706.72 | J/mol×K | 691.35 | Joback Calculated Property |
| Cp,gas | 723.34 | J/mol×K | 721.69 | Joback Calculated Property |
| Cp,gas | 739.02 | J/mol×K | 752.04 | Joback Calculated Property |
| Cp,gas | 753.81 | J/mol×K | 782.38 | Joback Calculated Property |
| Cp,gas | 767.76 | J/mol×K | 812.72 | Joback Calculated Property |
| Cp,gas | 780.92 | J/mol×K | 843.06 | Joback Calculated Property |
| Cp,gas | 793.33 | J/mol×K | 873.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Decyl-«alpha»-«alpha»-«alpha»-trifluoroacetophenone.
Sources
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