- InChI
- InChI=1S/C7H7BrO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3
- InChI Key
- WHSIIJQOEGXWSN-UHFFFAOYSA-N
- Formula
- C7H7BrO2
- SMILES
- COc1cc(Br)ccc1O
- Molecular Weight1
- 203.03
- CAS
- 7368-78-7
- Other Names
-
- Phenol, 4-bromo-2-methoxy-
- 4-Bromo-2-methoxyphenol
- 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).
- 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° | -134.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -245.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.97 | kJ/mol | Joback Calculated Property |
| log10WS | -2.30 | Crippen Calculated Property | |
| logPoct/wat | 2.163 | Crippen Calculated Property | |
| McVol | 114.970 | ml/mol | McGowan Calculated Property |
| Pc | 5304.68 | kPa | Joback Calculated Property |
| Inp | [1388.10; 1388.10] |
|
|
| Inp | 1388.10 | NIST | |
| Inp | 1388.10 | NIST | |
| Tboil | 560.42 | K | Joback Calculated Property |
| Tc | 804.58 | K | Joback Calculated Property |
| Tfus | 401.34 | K | Joback Calculated Property |
| Vc | 0.365 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [235.21; 280.92] | J/mol×K | [560.42; 804.58] |
|
| Cp,gas | 235.21 | J/mol×K | 560.42 | Joback Calculated Property |
| Cp,gas | 244.27 | J/mol×K | 601.11 | Joback Calculated Property |
| Cp,gas | 252.65 | J/mol×K | 641.81 | Joback Calculated Property |
| Cp,gas | 260.43 | J/mol×K | 682.50 | Joback Calculated Property |
| Cp,gas | 267.69 | J/mol×K | 723.19 | Joback Calculated Property |
| Cp,gas | 274.49 | J/mol×K | 763.89 | Joback Calculated Property |
| Cp,gas | 280.92 | J/mol×K | 804.58 | Joback Calculated Property |
| η | [0.0000550; 0.0008506] | Pa×s | [401.34; 560.42] |
|
| η | 0.0008506 | Pa×s | 401.34 | Joback Calculated Property |
| η | 0.0004679 | Pa×s | 427.85 | Joback Calculated Property |
| η | 0.0002760 | Pa×s | 454.37 | Joback Calculated Property |
| η | 0.0001725 | Pa×s | 480.88 | Joback Calculated Property |
| η | 0.0001133 | Pa×s | 507.39 | Joback Calculated Property |
| η | 0.0000775 | Pa×s | 533.91 | Joback Calculated Property |
| η | 0.0000550 | Pa×s | 560.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromoguaiacol.
Sources
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