- InChI
- InChI=1S/C6H5BrO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H
- InChI Key
- MPCCNXGZCOXPMG-UHFFFAOYSA-N
- Formula
- C6H5BrO2
- SMILES
- Oc1ccc(Br)c(O)c1
- Molecular Weight1
- 189.01
- CAS
- 6626-15-9
- Other Names
-
- 1-Bromo-2,4-dihydroxybenzene
- 4-Bromo-1,3-dihydroxybenzene
- 4-Bromoresorcinol
- Resorcinol, 4-bromo-
- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (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° | -182.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -258.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.69 | kJ/mol | Joback Calculated Property |
| log10WS | -1.73 | Crippen Calculated Property | |
| logPoct/wat | 1.860 | Crippen Calculated Property | |
| McVol | 100.880 | ml/mol | McGowan Calculated Property |
| Pc | 8324.90 | kPa | Joback Calculated Property |
| Tboil | 590.76 | K | Joback Calculated Property |
| Tc | 854.07 | K | Joback Calculated Property |
| Tfus | 467.04 | K | Joback Calculated Property |
| Vc | 0.258 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [210.71; 244.17] | J/mol×K | [590.76; 854.07] | 
|
| Cp,gas | 210.71 | J/mol×K | 590.76 | Joback Calculated Property |
| Cp,gas | 217.40 | J/mol×K | 634.64 | Joback Calculated Property |
| Cp,gas | 223.38 | J/mol×K | 678.53 | Joback Calculated Property |
| Cp,gas | 228.85 | J/mol×K | 722.41 | Joback Calculated Property |
| Cp,gas | 234.01 | J/mol×K | 766.30 | Joback Calculated Property |
| Cp,gas | 239.05 | J/mol×K | 810.18 | Joback Calculated Property |
| Cp,gas | 244.17 | J/mol×K | 854.07 | Joback Calculated Property |
| η | [0.0000105; 0.0001699] | Pa×s | [467.04; 590.76] |
|
| η | 0.0001699 | Pa×s | 467.04 | Joback Calculated Property |
| η | 0.0000968 | Pa×s | 487.66 | Joback Calculated Property |
| η | 0.0000577 | Pa×s | 508.28 | Joback Calculated Property |
| η | 0.0000358 | Pa×s | 528.90 | Joback Calculated Property |
| η | 0.0000230 | Pa×s | 549.52 | Joback Calculated Property |
| η | 0.0000153 | Pa×s | 570.14 | Joback Calculated Property |
| η | 0.0000105 | Pa×s | 590.76 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 423.20 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to 1,3-Benzenediol, 4-bromo-.
Sources
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