- InChI
- InChI=1S/C7H6Br2O/c1-4-6(8)2-5(10)3-7(4)9/h2-3,10H,1H3
- InChI Key
- AXCQKKVGMZCWPC-UHFFFAOYSA-N
- Formula
- C7H6Br2O
- SMILES
- Cc1c(Br)cc(O)cc1Br
- Molecular Weight1
- 265.93
- CAS
- 13979-81-2
- Other Names
-
- Phenol, 3,5-dibromo-4-methyl-
- 3,5-dibromo-p-cresol
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5576 | Relay (1.0) Calculated Property | |
| ΔfG° | -24.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -83.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.226 | Crippen Calculated Property | |
| McVol | 126.600 | ml/mol | McGowan Calculated Property |
| Pc | 5899.00 | kPa | Joback Calculated Property |
| Tboil | 566.81 | K | Relay (1.0) Calculated Property |
| Tc | 803.43 | K | Relay (1.0) Calculated Property |
| Tfus | 423.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.411 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [240.15; 279.21] | J/mol×K | [609.14; 872.28] | 
|
| Cp,gas | 240.15 | J/mol×K | 609.14 | Joback Calculated Property |
| Cp,gas | 247.83 | J/mol×K | 653.00 | Joback Calculated Property |
| Cp,gas | 254.87 | J/mol×K | 696.85 | Joback Calculated Property |
| Cp,gas | 261.41 | J/mol×K | 740.71 | Joback Calculated Property |
| Cp,gas | 267.56 | J/mol×K | 784.57 | Joback Calculated Property |
| Cp,gas | 273.45 | J/mol×K | 828.42 | Joback Calculated Property |
| Cp,gas | 279.21 | J/mol×K | 872.28 | Joback Calculated Property |
| η | [0.0000479; 0.0004708] | Pa×s | [451.43; 609.14] |
|
| η | 0.0004708 | Pa×s | 451.43 | Joback Calculated Property |
| η | 0.0002897 | Pa×s | 477.72 | Joback Calculated Property |
| η | 0.0001876 | Pa×s | 504.00 | Joback Calculated Property |
| η | 0.0001268 | Pa×s | 530.28 | Joback Calculated Property |
| η | 0.0000889 | Pa×s | 556.57 | Joback Calculated Property |
| η | 0.0000644 | Pa×s | 582.86 | Joback Calculated Property |
| η | 0.0000479 | Pa×s | 609.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Dibromo-4-methylphenol.
Sources
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