- InChI
- InChI=1S/C10H6BrF5O2/c11-7-3-1-6(2-4-7)5-18-8(17)9(12,13)10(14,15)16/h1-4H,5H2
- InChI Key
- QKXWGASKQLFKSW-UHFFFAOYSA-N
- Formula
- C10H6BrF5O2
- SMILES
-
O=C(OCc1ccc(Br)cc1)C(F)(F)C(F)
(F)F - Molecular Weight1
- 333.05
- 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° | -1051.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1241.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.71 | kJ/mol | Joback Calculated Property |
| log10WS | -4.61 | Crippen Calculated Property | |
| logPoct/wat | 3.690 | Crippen Calculated Property | |
| McVol | 161.790 | ml/mol | McGowan Calculated Property |
| Pc | 2673.54 | kPa | Joback Calculated Property |
| Inp | 1281.00 | NIST | |
| Tboil | 592.20 | K | Joback Calculated Property |
| Tc | 793.33 | K | Joback Calculated Property |
| Tfus | 381.15 | K | Joback Calculated Property |
| Vc | 0.641 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [385.52; 437.04] | J/mol×K | [592.20; 793.33] | 
|
| Cp,gas | 385.52 | J/mol×K | 592.20 | Joback Calculated Property |
| Cp,gas | 396.06 | J/mol×K | 625.72 | Joback Calculated Property |
| Cp,gas | 405.74 | J/mol×K | 659.24 | Joback Calculated Property |
| Cp,gas | 414.63 | J/mol×K | 692.76 | Joback Calculated Property |
| Cp,gas | 422.77 | J/mol×K | 726.29 | Joback Calculated Property |
| Cp,gas | 430.22 | J/mol×K | 759.81 | Joback Calculated Property |
| Cp,gas | 437.04 | J/mol×K | 793.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromobenzyl alcohol, pentafluoropropionate.
Sources
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