Chemical Properties of Anthracene, 9,10-dichloro- (CAS 605-48-1)

InChI

InChI=1S/C14H8Cl2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H

InChI Key

FKDIWXZNKAZCBY-UHFFFAOYSA-N

Formula

C14H8Cl2

SMILES

Clc1c2ccccc2c(Cl)c2ccccc12

Molecular Weight¹

247.12

CAS

605-48-1

Other Names

• 9,10-Dichloroanthracene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔsubH	113.90 ± 4.50	kJ/mol	346.00	NIST
Psub	[2.70e-07; 2.36e-04]	kPa	[316.00; 376.00]
Psub	2.70e-07	kPa	316.00	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	2.00e-06	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	2.20e-06	kPa	330.90	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	4.70e-06	kPa	337.70	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	5.70e-06	kPa	339.10	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	7.10e-06	kPa	341.70	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	8.70e-06	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	1.27e-05	kPa	345.60	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	1.44e-05	kPa	347.30	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	1.67e-05	kPa	348.30	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	1.72e-05	kPa	348.90	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	3.70e-05	kPa	353.40	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	3.94e-05	kPa	353.60	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	3.74e-05	kPa	355.80	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	5.46e-05	kPa	357.90	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	8.47e-05	kPa	363.50	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	7.79e-05	kPa	364.40	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	1.21e-04	kPa	367.50	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	1.64e-04	kPa	368.50	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	2.36e-04	kPa	376.00	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[197.68; 448.93]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.79500e+01
Coefficient B			1.08260e+00
Coefficient C			-8.82120e-04
Coefficient D			2.86400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	197.68	J/mol×K	273.00	Calculated Property
Cp,gas	247.33	J/mol×K	353.78	Calculated Property
Cp,gas	289.42	J/mol×K	434.56	Calculated Property
Cp,gas	324.88	J/mol×K	515.33	Calculated Property
Cp,gas	354.61	J/mol×K	596.11	Calculated Property
Cp,gas	379.50	J/mol×K	676.89	Calculated Property
Cp,gas	400.48	J/mol×K	757.67	Calculated Property
Cp,gas	418.44	J/mol×K	838.44	Calculated Property
Cp,gas	434.29	J/mol×K	919.22	Calculated Property
Cp,gas	448.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010272; 0.0005277]	Pa×s	[486.15; 655.04]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-9.46411e+00
Coefficient B			1.25584e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			486.15
Temperature range, max.			655.04
η	0.0010272	Pa×s	486.15	Calculated Property
η	0.0009332	Pa×s	504.92	Calculated Property
η	0.0008536	Pa×s	523.68	Calculated Property
η	0.0007857	Pa×s	542.45	Calculated Property
η	0.0007271	Pa×s	561.21	Calculated Property
η	0.0006764	Pa×s	579.98	Calculated Property
η	0.0006320	Pa×s	598.74	Calculated Property
η	0.0005930	Pa×s	617.51	Calculated Property
η	0.0005584	Pa×s	636.28	Calculated Property
η	0.0005277	Pa×s	655.04	Calculated Property

Similar Compounds

Find more compounds similar to Anthracene, 9,10-dichloro-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
• Enthalpies of Vaporization and Sublimation of the Halogen-Substituted Aromatic Hydrocarbons at 298.15 K: Application of Solution Calorimetry Approach
• Joback Method
• McGowan Method
• NIST Webbook

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