- InChI
- InChI=1S/C9H4Br3F3O2/c1-3-4(10)2-5(11)7(6(3)12)17-8(16)9(13,14)15/h2H,1H3
- InChI Key
- AOOXTTARAUMVQT-UHFFFAOYSA-N
- Formula
- C9H4Br3F3O2
- SMILES
-
Cc1c(Br)cc(Br)c(OC(=O)C(F)(F)F
)c1Br - Molecular Weight1
- 440.83
- Other Names
-
- 2,4,6-Tribromo-3-trifluoroacetyloxytoluene
- 2,4,6-Tribromo-m-cresol 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° | -673.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -801.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.27 | kJ/mol | Joback Calculated Property |
| log10WS | -6.41 | Crippen Calculated Property | |
| logPoct/wat | 4.750 | Crippen Calculated Property | |
| McVol | 179.160 | ml/mol | McGowan Calculated Property |
| Pc | 3568.53 | kPa | Joback Calculated Property |
| Inp | 1660.00 | NIST | |
| Tboil | 721.27 | K | Joback Calculated Property |
| Tc | 958.77 | K | Joback Calculated Property |
| Tfus | 523.44 | K | Joback Calculated Property |
| Vc | 0.684 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [371.16; 405.89] | J/mol×K | [721.27; 958.77] | 
|
| Cp,gas | 371.16 | J/mol×K | 721.27 | Joback Calculated Property |
| Cp,gas | 378.29 | J/mol×K | 760.85 | Joback Calculated Property |
| Cp,gas | 384.80 | J/mol×K | 800.44 | Joback Calculated Property |
| Cp,gas | 390.77 | J/mol×K | 840.02 | Joback Calculated Property |
| Cp,gas | 396.23 | J/mol×K | 879.60 | Joback Calculated Property |
| Cp,gas | 401.26 | J/mol×K | 919.18 | Joback Calculated Property |
| Cp,gas | 405.89 | J/mol×K | 958.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6-tribromo-3-methylphenyl trifluoroacetate.
Sources
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