- InChI
- InChI=1S/C12H7BrO2/c13-8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7H
- InChI Key
- HEAUGIUDKRRLPJ-UHFFFAOYSA-N
- Formula
- C12H7BrO2
- SMILES
- Brc1cccc2c1Oc1ccccc1O2
- Molecular Weight1
- 263.09
- 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° | 168.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 9.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.35 | kJ/mol | Joback Calculated Property |
| log10WS | -4.15 | Crippen Calculated Property | |
| logPoct/wat | 4.347 | Crippen Calculated Property | |
| McVol | 150.800 | ml/mol | McGowan Calculated Property |
| Pc | 4088.15 | kPa | Joback Calculated Property |
| Inp | [1885.00; 1885.00] |
|
|
| Inp | 1885.00 | NIST | |
| Inp | 1885.00 | NIST | |
| Inp | 1885.00 | NIST | |
| Tboil | 669.46 | K | Joback Calculated Property |
| Tc | 937.67 | K | Joback Calculated Property |
| Tfus | 454.04 | K | Joback Calculated Property |
| Vc | 0.561 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [347.20; 401.52] | J/mol×K | [669.46; 937.67] |
|
| Cp,gas | 347.20 | J/mol×K | 669.46 | Joback Calculated Property |
| Cp,gas | 358.26 | J/mol×K | 714.16 | Joback Calculated Property |
| Cp,gas | 368.32 | J/mol×K | 758.86 | Joback Calculated Property |
| Cp,gas | 377.53 | J/mol×K | 803.57 | Joback Calculated Property |
| Cp,gas | 386.03 | J/mol×K | 848.27 | Joback Calculated Property |
| Cp,gas | 393.98 | J/mol×K | 892.97 | Joback Calculated Property |
| Cp,gas | 401.52 | J/mol×K | 937.67 | Joback Calculated Property |
| η | [0.0005411; 0.0016940] | Pa×s | [454.04; 669.46] |
|
| η | 0.0016940 | Pa×s | 454.04 | Joback Calculated Property |
| η | 0.0013063 | Pa×s | 489.94 | Joback Calculated Property |
| η | 0.0010437 | Pa×s | 525.85 | Joback Calculated Property |
| η | 0.0008582 | Pa×s | 561.75 | Joback Calculated Property |
| η | 0.0007224 | Pa×s | 597.65 | Joback Calculated Property |
| η | 0.0006201 | Pa×s | 633.56 | Joback Calculated Property |
| η | 0.0005411 | Pa×s | 669.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-bromo-dibenzo-dioxin.
Sources
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