- InChI
- InChI=1S/C10H10F3NO/c1-14(2)9(15)7-4-3-5-8(6-7)10(11,12)13/h3-6H,1-2H3
- InChI Key
- AVCRBLADHKZIJP-UHFFFAOYSA-N
- Formula
- C10H10F3NO
- SMILES
- CN(C)C(=O)c1cccc(C(F)(F)F)c1
- Molecular Weight1
- 217.19
- CAS
- 90238-10-1
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.5001 | Relay (1.0) Calculated Property | |
| PAff | 907.10 | kJ/mol | NIST |
| BasG | 876.20 | kJ/mol | NIST |
| ΔfG° | -463.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -749.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.407 | Crippen Calculated Property | |
| McVol | 144.860 | ml/mol | McGowan Calculated Property |
| Pc | 2721.17 | kPa | Joback Calculated Property |
| Tboil | 510.12 | K | Relay (1.0) Calculated Property |
| Tc | 706.89 | K | Relay (1.0) Calculated Property |
| Tfus | 339.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.542 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [338.28; 405.42] | J/mol×K | [520.75; 715.31] | 
|
| Cp,gas | 338.28 | J/mol×K | 520.75 | Joback Calculated Property |
| Cp,gas | 351.55 | J/mol×K | 553.18 | Joback Calculated Property |
| Cp,gas | 363.93 | J/mol×K | 585.60 | Joback Calculated Property |
| Cp,gas | 375.46 | J/mol×K | 618.03 | Joback Calculated Property |
| Cp,gas | 386.19 | J/mol×K | 650.46 | Joback Calculated Property |
| Cp,gas | 396.16 | J/mol×K | 682.89 | Joback Calculated Property |
| Cp,gas | 405.42 | J/mol×K | 715.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-CF3-C6H4CON(CH3)2.
Sources
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