Chemical Properties of 9-Bromoanthracene (CAS 1564-64-3)

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-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_sub : Sublimation pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4685		Relay (1.0) Calculated Property
EA	0.61 ± 0.10	eV	NIST
ΔfG°	387.77	kJ/mol	Joback Calculated Property
ΔfH°gas	248.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.60	kJ/mol	Joback Calculated Property
ΔvapH°	84.87	kJ/mol	Relay (1.0) Calculated Property
IE	[7.48; 7.58]	eV
IE	7.58	eV	NIST
IE	7.48 ± 0.03	eV	NIST
log10WS	-6.46		Relay (1.0) 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	657.22	K	Relay (1.0) Calculated Property
Tc	921.95	K	Relay (1.0) Calculated Property
Tfus	374.15	K	Thermochemical and vapor pressure behavior of anthracene and brominated anthracene mixtures
Vc	0.597	m3/kmol	Relay (1.0) 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 effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	9.70e-06	kPa	319.00	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	1.16e-05	kPa	321.80	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	1.57e-05	kPa	322.90	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	1.87e-05	kPa	325.50	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	2.95e-05	kPa	329.20	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	3.40e-05	kPa	330.80	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	4.79e-05	kPa	333.10	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	6.28e-05	kPa	336.20	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	9.05e-05	kPa	339.20	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	9.04e-05	kPa	339.90	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	9.19e-05	kPa	340.00	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	1.02e-04	kPa	342.10	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	1.16e-04	kPa	342.30	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	1.36e-04	kPa	344.10	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	1.41e-04	kPa	344.30	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	2.08e-04	kPa	347.10	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	2.29e-04	kPa	348.20	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	3.53e-04	kPa	352.10	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	4.50e-04	kPa	355.70	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	8.30e-04	kPa	362.80	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	9.66e-04	kPa	364.00	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	1.48e-03	kPa	367.80	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique

Similar Compounds

Find more compounds similar to 9-Bromoanthracene.

Mixtures

• 9-Bromoanthracene + Anthracene

Sources

• Cheméo Relay (1.0)
• 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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