- InChI
- InChI=1S/C9H6BrF3O2/c10-7-3-1-6(2-4-7)5-15-8(14)9(11,12)13/h1-4H,5H2
- InChI Key
- ANOPWAXGWOMPNH-UHFFFAOYSA-N
- Formula
- C9H6BrF3O2
- SMILES
- O=C(OCc1ccc(Br)cc1)C(F)(F)F
- Molecular Weight1
- 283.04
- CAS
- 344884-23-7
- Other Names
-
- 4-Bromobenzyl alcohol, trifluoroacetate
- 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° | -673.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -819.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.41 | kJ/mol | Joback Calculated Property |
| log10WS | -3.88 | Crippen Calculated Property | |
| logPoct/wat | 3.055 | Crippen Calculated Property | |
| McVol | 144.160 | ml/mol | McGowan Calculated Property |
| Pc | 3202.78 | kPa | Joback Calculated Property |
| Inp | [1272.00; 1272.00] |
|
|
| Inp | 1272.00 | NIST | |
| Inp | 1272.00 | NIST | |
| Tboil | 574.01 | K | Joback Calculated Property |
| Tc | 785.98 | K | Joback Calculated Property |
| Tfus | 366.28 | K | Joback Calculated Property |
| Vc | 0.560 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [319.70; 370.57] | J/mol×K | [574.01; 785.98] |
|
| Cp,gas | 319.70 | J/mol×K | 574.01 | Joback Calculated Property |
| Cp,gas | 329.97 | J/mol×K | 609.34 | Joback Calculated Property |
| Cp,gas | 339.47 | J/mol×K | 644.67 | Joback Calculated Property |
| Cp,gas | 348.23 | J/mol×K | 679.99 | Joback Calculated Property |
| Cp,gas | 356.31 | J/mol×K | 715.32 | Joback Calculated Property |
| Cp,gas | 363.75 | J/mol×K | 750.65 | Joback Calculated Property |
| Cp,gas | 370.57 | J/mol×K | 785.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromobenzyl 2,2,2-trifluoroacetate.
Sources
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