- InChI
- InChI=1S/C7H7BrO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
- InChI Key
- FSWNRRSWFBXQCL-UHFFFAOYSA-N
- Formula
- C7H7BrO
- SMILES
- OCc1cccc(Br)c1
- Molecular Weight1
- 187.03
- CAS
- 15852-73-0
- Other Names
-
- m-Bromobenzyl alcohol
- Benzenemethanol, 3-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° | -11.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -88.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.23 | kJ/mol | Joback Calculated Property |
| log10WS | -2.78 | Crippen Calculated Property | |
| logPoct/wat | 1.941 | Crippen Calculated Property | |
| McVol | 109.100 | ml/mol | McGowan Calculated Property |
| Pc | 5008.59 | kPa | Joback Calculated Property |
| Tboil | 549.56 | K | Joback Calculated Property |
| Tc | 765.72 | K | Joback Calculated Property |
| Tfus | 328.21 | K | Joback Calculated Property |
| Vc | 0.401 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [213.18; 256.18] | J/mol×K | [549.56; 765.72] | 
|
| Cp,gas | 213.18 | J/mol×K | 549.56 | Joback Calculated Property |
| Cp,gas | 221.65 | J/mol×K | 585.59 | Joback Calculated Property |
| Cp,gas | 229.56 | J/mol×K | 621.61 | Joback Calculated Property |
| Cp,gas | 236.93 | J/mol×K | 657.64 | Joback Calculated Property |
| Cp,gas | 243.80 | J/mol×K | 693.66 | Joback Calculated Property |
| Cp,gas | 250.21 | J/mol×K | 729.69 | Joback Calculated Property |
| Cp,gas | 256.18 | J/mol×K | 765.72 | Joback Calculated Property |
| η | [0.0001406; 0.0052897] | Pa×s | [328.21; 549.56] |
|
| η | 0.0052897 | Pa×s | 328.21 | Joback Calculated Property |
| η | 0.0021291 | Pa×s | 365.10 | Joback Calculated Property |
| η | 0.0010127 | Pa×s | 401.99 | Joback Calculated Property |
| η | 0.0005458 | Pa×s | 438.88 | Joback Calculated Property |
| η | 0.0003238 | Pa×s | 475.78 | Joback Calculated Property |
| η | 0.0002070 | Pa×s | 512.67 | Joback Calculated Property |
| η | 0.0001406 | Pa×s | 549.56 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [364.30; 525.50] | K | [0.09; 98.40] |
|
| Tboilr | 364.30 ± 0.70 | K | 0.09 | NIST |
| Tboilr | 438.20 | K | 2.10 | NIST |
| Tboilr | 438.00 | K | 2.10 | NIST |
| Tboilr | 525.50 ± 0.50 | K | 94.80 | NIST |
| Tboilr | 514.00 ± 16.00 | K | 98.40 | NIST |
Similar Compounds
Find more compounds similar to 3-Bromobenzyl alcohol.
Sources
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