- InChI
- InChI=1S/C14H9Br/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H
- InChI Key
- ZIRVQSRSPDUEOJ-UHFFFAOYSA-N
- Formula
- C14H9Br
- SMILES
- Brc1c2ccccc2cc2ccccc12
- Molecular Weight1
- 257.12
- CAS
- 1564-64-3
- Other Names
-
- 9-Anthracenyl bromide
- anthracene, 9-bromo-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- EA : Electron affinity (eV).
- 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).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- Psub : Sublimation 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 |
|---|---|---|---|
| EA | 0.61 ± 0.10 | eV | NIST |
| ΔfG° | 387.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 289.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.07 | kJ/mol | Joback Calculated Property |
| IE | [7.48; 7.58] | eV |
|
| IE | 7.58 | eV | NIST |
| IE | 7.48 ± 0.03 | eV | NIST |
| log10WS | -6.24 | Crippen Calculated Property | |
| logPoct/wat | 4.755 | Crippen Calculated Property | |
| McVol | 162.940 | ml/mol | McGowan Calculated Property |
| Pc | 3452.08 | kPa | Joback Calculated Property |
| Inp | [2125.00; 2143.00] |
|
|
| Inp | 2125.00 | NIST | |
| Inp | 2140.00 | NIST | |
| Inp | 2125.00 | NIST | |
| Inp | 2143.00 | NIST | |
| Inp | 2125.00 | NIST | |
| Tboil | 660.48 | K | Joback Calculated Property |
| Tc | 927.78 | K | Joback Calculated Property |
| Tfus | 374.15 | K | Thermoc... |
| Vc | 0.618 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [367.67; 430.71] | J/mol×K | [660.48; 927.78] |
|
| Cp,gas | 367.67 | J/mol×K | 660.48 | Joback Calculated Property |
| Cp,gas | 380.45 | J/mol×K | 705.03 | Joback Calculated Property |
| Cp,gas | 392.09 | J/mol×K | 749.58 | Joback Calculated Property |
| Cp,gas | 402.76 | J/mol×K | 794.13 | Joback Calculated Property |
| Cp,gas | 412.64 | J/mol×K | 838.68 | Joback Calculated Property |
| Cp,gas | 421.90 | J/mol×K | 883.23 | Joback Calculated Property |
| Cp,gas | 430.71 | J/mol×K | 927.78 | Joback Calculated Property |
| η | [0.0005224; 0.0014982] | Pa×s | [424.20; 660.48] |
|
| η | 0.0014982 | Pa×s | 424.20 | Joback Calculated Property |
| η | 0.0011666 | Pa×s | 463.58 | Joback Calculated Property |
| η | 0.0009447 | Pa×s | 502.96 | Joback Calculated Property |
| η | 0.0007888 | Pa×s | 542.34 | Joback Calculated Property |
| η | 0.0006749 | Pa×s | 581.72 | Joback Calculated Property |
| η | 0.0005890 | Pa×s | 621.10 | Joback Calculated Property |
| η | 0.0005224 | Pa×s | 660.48 | Joback Calculated Property |
| ΔsubH | 100.50 ± 1.80 | kJ/mol | 341.50 | NIST |
| Psub | [6.00e-06; 1.48e-03] | kPa | [315.60; 367.80] |
|
| Psub | 6.00e-06 | kPa | 315.60 | The eff... |
| Psub | 9.70e-06 | kPa | 319.00 | The eff... |
| Psub | 1.16e-05 | kPa | 321.80 | The eff... |
| Psub | 1.57e-05 | kPa | 322.90 | The eff... |
| Psub | 1.87e-05 | kPa | 325.50 | The eff... |
| Psub | 2.95e-05 | kPa | 329.20 | The eff... |
| Psub | 3.40e-05 | kPa | 330.80 | The eff... |
| Psub | 4.79e-05 | kPa | 333.10 | The eff... |
| Psub | 6.28e-05 | kPa | 336.20 | The eff... |
| Psub | 9.05e-05 | kPa | 339.20 | The eff... |
| Psub | 9.04e-05 | kPa | 339.90 | The eff... |
| Psub | 9.19e-05 | kPa | 340.00 | The eff... |
| Psub | 1.02e-04 | kPa | 342.10 | The eff... |
| Psub | 1.16e-04 | kPa | 342.30 | The eff... |
| Psub | 1.36e-04 | kPa | 344.10 | The eff... |
| Psub | 1.41e-04 | kPa | 344.30 | The eff... |
| Psub | 2.08e-04 | kPa | 347.10 | The eff... |
| Psub | 2.29e-04 | kPa | 348.20 | The eff... |
| Psub | 3.53e-04 | kPa | 352.10 | The eff... |
| Psub | 4.50e-04 | kPa | 355.70 | The eff... |
| Psub | 8.30e-04 | kPa | 362.80 | The eff... |
| Psub | 9.66e-04 | kPa | 364.00 | The eff... |
| Psub | 1.48e-03 | kPa | 367.80 | The eff... |
Similar Compounds
Find more compounds similar to 9-Bromoanthracene.
Mixtures
Sources
- Crippen Method
- Crippen Method
- Thermochemical and vapor pressure behavior of anthracene and brominated anthracene mixtures
- The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
- Joback Method
- McGowan Method
- NIST Webbook
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