- InChI
- InChI=1S/C9H5ClF6/c10-4-5-1-6(8(11,12)13)3-7(2-5)9(14,15)16/h1-3H,4H2
- InChI Key
- OINTXXMBRBLMHH-UHFFFAOYSA-N
- Formula
- C9H5ClF6
- SMILES
-
FC(F)(F)c1cc(CCl)cc(C(F)(F)F)c
1 - Molecular Weight1
- 262.58
- CAS
- 75462-59-8
- Other Names
-
- 3,5-di(Trifluoromethyl)benzyl chloride
- Benzene, 1-(chloromethyl)-3,5-bis(trifluoromethyl)-
- 1-(chloromethyl)-3,5-bis(trifluoromethyl)benzene
- 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° | -1057.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1225.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.12 | kJ/mol | Joback Calculated Property |
| log10WS | -4.71 | Crippen Calculated Property | |
| logPoct/wat | 4.463 | Crippen Calculated Property | |
| McVol | 136.770 | ml/mol | McGowan Calculated Property |
| Pc | 2379.54 | kPa | Joback Calculated Property |
| Tboil | 468.55 | K | Joback Calculated Property |
| Tc | 647.69 | K | Joback Calculated Property |
| Tfus | 280.95 | K | Joback Calculated Property |
| Vc | 0.567 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [299.15; 355.05] | J/mol×K | [468.55; 647.69] | 
|
| Cp,gas | 299.15 | J/mol×K | 468.55 | Joback Calculated Property |
| Cp,gas | 310.29 | J/mol×K | 498.41 | Joback Calculated Property |
| Cp,gas | 320.64 | J/mol×K | 528.26 | Joback Calculated Property |
| Cp,gas | 330.25 | J/mol×K | 558.12 | Joback Calculated Property |
| Cp,gas | 339.16 | J/mol×K | 587.98 | Joback Calculated Property |
| Cp,gas | 347.41 | J/mol×K | 617.83 | Joback Calculated Property |
| Cp,gas | 355.05 | J/mol×K | 647.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Bis(trifluoromethyl)benzyl chloride.
Sources
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