- InChI
- InChI=1S/C8H7BrO2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,10H,5H2
- InChI Key
- FGROGLJVXNYNQC-UHFFFAOYSA-N
- Formula
- C8H7BrO2
- SMILES
- O=C(CO)c1ccc(Br)cc1
- Molecular Weight1
- 215.04
- CAS
- 3343-45-1
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6781 | Relay (... Calculated Property | |
| ΔfG° | -132.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -232.96 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 21.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.30 | kJ/mol | Relay (... Calculated Property |
| IE | 9.29 | eV | Relay (... Calculated Property |
| log10WS | -2.28 | Relay (... Calculated Property | |
| logPoct/wat | 1.624 | Crippen Calculated Property | |
| McVol | 124.760 | ml/mol | McGowan Calculated Property |
| Pc | 4782.59 | kPa | Joback Calculated Property |
| Tboil | 573.10 | K | Relay (... Calculated Property |
| Tc | 828.19 | K | Relay (... Calculated Property |
| Tfus | 376.61 | K | Relay (... Calculated Property |
| Vc | 0.430 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [265.66; 307.42] | J/mol×K | [626.31; 846.15] | 
|
| Cp,gas | 265.66 | J/mol×K | 626.31 | Joback Calculated Property |
| Cp,gas | 273.99 | J/mol×K | 662.95 | Joback Calculated Property |
| Cp,gas | 281.72 | J/mol×K | 699.59 | Joback Calculated Property |
| Cp,gas | 288.89 | J/mol×K | 736.23 | Joback Calculated Property |
| Cp,gas | 295.54 | J/mol×K | 772.87 | Joback Calculated Property |
| Cp,gas | 301.71 | J/mol×K | 809.51 | Joback Calculated Property |
| Cp,gas | 307.42 | J/mol×K | 846.15 | Joback Calculated Property |
| η | [0.0001015; 0.0024938] | Pa×s | [389.41; 626.31] |
|
| η | 0.0024938 | Pa×s | 389.41 | Joback Calculated Property |
| η | 0.0011440 | Pa×s | 428.89 | Joback Calculated Property |
| η | 0.0005985 | Pa×s | 468.38 | Joback Calculated Property |
| η | 0.0003463 | Pa×s | 507.86 | Joback Calculated Property |
| η | 0.0002168 | Pa×s | 547.34 | Joback Calculated Property |
| η | 0.0001446 | Pa×s | 586.83 | Joback Calculated Property |
| η | 0.0001015 | Pa×s | 626.31 | Joback Calculated Property |
Similar Compounds
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Sources
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