- InChI
- InChI=1S/C7H5BrO/c8-7-3-1-2-6(4-7)5-9/h1-5H
- InChI Key
- SUISZCALMBHJQX-UHFFFAOYSA-N
- Formula
- C7H5BrO
- SMILES
- O=Cc1cccc(Br)c1
- Molecular Weight1
- 185.02
- CAS
- 3132-99-8
- Other Names
-
- m-Bromobenzaldehyde
- 3-Bromobenzaldehyde
- Benzaldehyde, m-bromo-
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ω | 0.3942 | Relay (1.0) Calculated Property | |
| ΔfG° | 25.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -20.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.262 | Crippen Calculated Property | |
| McVol | 104.800 | ml/mol | McGowan Calculated Property |
| Pc | 4883.38 | kPa | Joback Calculated Property |
| Inp | [1186.00; 1207.80] |
|
|
| Inp | 1193.50 | NIST | |
| Inp | 1207.80 | NIST | |
| Inp | 1186.00 | NIST | |
| Inp | 1186.00 | NIST | |
| Inp | 1193.50 | NIST | |
| Tboil | [502.20; 507.70] | K |
|
| Tboil | 502.20 | K | NIST |
| Tboil | 507.70 | K | NIST |
| Tboil | 507.50 ± 1.50 | K | NIST |
| Tc | 771.21 | K | Relay (1.0) Calculated Property |
| Tfus | 286.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.371 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [186.18; 230.30] | J/mol×K | [506.04; 744.20] |
|
| Cp,gas | 186.18 | J/mol×K | 506.04 | Joback Calculated Property |
| Cp,gas | 195.09 | J/mol×K | 545.73 | Joback Calculated Property |
| Cp,gas | 203.32 | J/mol×K | 585.43 | Joback Calculated Property |
| Cp,gas | 210.92 | J/mol×K | 625.12 | Joback Calculated Property |
| Cp,gas | 217.93 | J/mol×K | 664.81 | Joback Calculated Property |
| Cp,gas | 224.37 | J/mol×K | 704.51 | Joback Calculated Property |
| Cp,gas | 230.30 | J/mol×K | 744.20 | Joback Calculated Property |
| η | [0.0003736; 0.0022488] | Pa×s | [309.39; 506.04] |
|
| η | 0.0022488 | Pa×s | 309.39 | Joback Calculated Property |
| η | 0.0014448 | Pa×s | 342.16 | Joback Calculated Property |
| η | 0.0010028 | Pa×s | 374.94 | Joback Calculated Property |
| η | 0.0007382 | Pa×s | 407.71 | Joback Calculated Property |
| η | 0.0005687 | Pa×s | 440.49 | Joback Calculated Property |
| η | 0.0004543 | Pa×s | 473.26 | Joback Calculated Property |
| η | 0.0003736 | Pa×s | 506.04 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 340.00 ± 1.00 | K | 0.30 | NIST |
Similar Compounds
Find more compounds similar to Benzaldehyde, 3-bromo-.
Sources
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