- InChI
- InChI=1S/C9H4F6O/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-4H
- InChI Key
- LDWLIXZSDPXYDR-UHFFFAOYSA-N
- Formula
- C9H4F6O
- SMILES
-
O=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c
1 - Molecular Weight1
- 242.12
- CAS
- 401-95-6
- Other Names
-
- 3,5-di(Trifluoromethyl)benzaldehyde
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- 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 |
|---|---|---|---|
| EA | [1.23; 1.27] | eV |
|
| EA | 1.23 ± 0.09 | eV | NIST |
| EA | 1.27 ± 0.09 | eV | NIST |
| ΔfG° | -1144.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1295.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.45 | kJ/mol | Joback Calculated Property |
| log10WS | -3.92 | Crippen Calculated Property | |
| logPoct/wat | 3.537 | Crippen Calculated Property | |
| McVol | 126.100 | ml/mol | McGowan Calculated Property |
| Pc | 2659.77 | kPa | Joback Calculated Property |
| Tboil | 479.78 | K | Joback Calculated Property |
| Tc | 658.55 | K | Joback Calculated Property |
| Tfus | 293.03 | K | Joback Calculated Property |
| Vc | 0.534 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [291.53; 343.63] | J/mol×K | [479.78; 658.55] |
|
| Cp,gas | 291.53 | J/mol×K | 479.78 | Joback Calculated Property |
| Cp,gas | 301.95 | J/mol×K | 509.58 | Joback Calculated Property |
| Cp,gas | 311.62 | J/mol×K | 539.37 | Joback Calculated Property |
| Cp,gas | 320.58 | J/mol×K | 569.17 | Joback Calculated Property |
| Cp,gas | 328.88 | J/mol×K | 598.96 | Joback Calculated Property |
| Cp,gas | 336.55 | J/mol×K | 628.76 | Joback Calculated Property |
| Cp,gas | 343.63 | J/mol×K | 658.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Bis(trifluoromethyl)benzaldehyde.
Sources
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