- InChI
- InChI=1S/C9H9BrO3/c1-6(11)13-8-4-3-7(10)5-9(8)12-2/h3-5H,1-2H3
- InChI Key
- GCNWECQSWKBEGV-UHFFFAOYSA-N
- Formula
- C9H9BrO3
- SMILES
- COc1cc(Br)ccc1OC(C)=O
- Molecular Weight1
- 245.07
- 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° | -206.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -366.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.23 | kJ/mol | Joback Calculated Property |
| log10WS | -3.07 | Crippen Calculated Property | |
| logPoct/wat | 2.383 | Crippen Calculated Property | |
| McVol | 144.720 | ml/mol | McGowan Calculated Property |
| Pc | 3530.46 | kPa | Joback Calculated Property |
| Inp | [1527.10; 1527.10] |
|
|
| Inp | 1527.10 | NIST | |
| Inp | 1527.10 | NIST | |
| Tboil | 606.83 | K | Joback Calculated Property |
| Tc | 836.24 | K | Joback Calculated Property |
| Tfus | 396.84 | K | Joback Calculated Property |
| Vc | 0.535 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [312.32; 368.52] | J/mol×K | [606.83; 836.24] |
|
| Cp,gas | 312.32 | J/mol×K | 606.83 | Joback Calculated Property |
| Cp,gas | 323.30 | J/mol×K | 645.07 | Joback Calculated Property |
| Cp,gas | 333.64 | J/mol×K | 683.30 | Joback Calculated Property |
| Cp,gas | 343.34 | J/mol×K | 721.54 | Joback Calculated Property |
| Cp,gas | 352.39 | J/mol×K | 759.77 | Joback Calculated Property |
| Cp,gas | 360.78 | J/mol×K | 798.01 | Joback Calculated Property |
| Cp,gas | 368.52 | J/mol×K | 836.24 | Joback Calculated Property |
| η | [0.0001847; 0.0009382] | Pa×s | [396.84; 606.83] |
|
| η | 0.0009382 | Pa×s | 396.84 | Joback Calculated Property |
| η | 0.0006412 | Pa×s | 431.84 | Joback Calculated Property |
| η | 0.0004639 | Pa×s | 466.84 | Joback Calculated Property |
| η | 0.0003512 | Pa×s | 501.84 | Joback Calculated Property |
| η | 0.0002757 | Pa×s | 536.83 | Joback Calculated Property |
| η | 0.0002229 | Pa×s | 571.83 | Joback Calculated Property |
| η | 0.0001847 | Pa×s | 606.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromoguaiacol, acetate.
Sources
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