Chemical Properties of Anthracene, 9,10-diphenyl- (CAS 1499-10-1)

InChI

InChI=1S/C26H18/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h1-18H

InChI Key

FCNCGHJSNVOIKE-UHFFFAOYSA-N

Formula

C26H18

SMILES

c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1

Molecular Weight¹

330.42

CAS

1499-10-1

Other Names

• 9,10-diphenylanthracene
• DPA

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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_vap : Vapor 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	0.6185		Relay (1.0) Calculated Property
ΔcH°solid	-13112.40 ± 2.90	kJ/mol	NIST
ΔfG°	689.68	kJ/mol	Joback Calculated Property
ΔfH°gas	478.30 ± 7.40	kJ/mol	NIST
ΔfH°solid	308.70 ± 4.50	kJ/mol	NIST
ΔfusH°	38.09	kJ/mol	Joback Calculated Property
ΔsubH°	169.60 ± 5.90	kJ/mol	NIST
ΔvapH°	138.12	kJ/mol	Relay (1.0) Calculated Property
IE	7.10	eV	Relay (1.0) Calculated Property
log10WS	-8.86		Relay (1.0) Calculated Property
logPoct/wat	7.327		Crippen Calculated Property
McVol	267.000	ml/mol	McGowan Calculated Property
Pc	1930.44	kPa	Joback Calculated Property
Inp	[484.33; 3000.00]
Inp	3000.00		NIST
Inp	484.33		NIST
Inp	484.33		NIST
Inp	3000.00		NIST
Tboil	782.22	K	Relay (1.0) Calculated Property
Tc	1120.19	K	Relay (1.0) Calculated Property
Tfus	472.92	K	Relay (1.0) Calculated Property
Vc	0.983	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[657.00; 756.00]	J/mol×K	[520.00; 620.00]
Cp,liquid	657.00	J/mol×K	520.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	667.00	J/mol×K	530.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	677.00	J/mol×K	540.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	686.00	J/mol×K	550.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	696.00	J/mol×K	560.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	706.00	J/mol×K	570.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	716.00	J/mol×K	580.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	726.00	J/mol×K	590.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	736.00	J/mol×K	600.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	746.00	J/mol×K	610.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	756.00	J/mol×K	620.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
ΔsubH	[134.00; 157.00]	kJ/mol	[293.00; 491.50]
ΔsubH	134.00	kJ/mol	293.00	NIST
ΔsubH	137.50	kJ/mol	383.00	NIST
ΔsubH	141.00	kJ/mol	393.00	NIST
ΔsubH	143.60	kJ/mol	413.00	NIST
ΔsubH	157.00 ± 4.20	kJ/mol	481.00	NIST
ΔsubH	156.90 ± 4.20	kJ/mol	491.50	NIST
ΔsubH	156.90 ± 4.20	kJ/mol	491.50	NIST
ΔvapH	[102.70; 152.90]	kJ/mol	[298.15; 398.00]
ΔvapH	152.90	kJ/mol	298.15	Solution calorimetry as a complementary tool for the determination of enthalpies of vaporization and sublimation of low volatile compounds at 298.15 K
ΔvapH	102.70	kJ/mol	398.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[310.93; 814.43]	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			-1.42450e+02
Coefficient B			2.05120e+00
Coefficient C			-1.55652e-03
Coefficient D			4.62200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	310.93	J/mol×K	273.00	Calculated Property
Cp,gas	408.87	J/mol×K	353.78	Calculated Property
Cp,gas	492.91	J/mol×K	434.56	Calculated Property
Cp,gas	564.49	J/mol×K	515.33	Calculated Property
Cp,gas	625.09	J/mol×K	596.11	Calculated Property
Cp,gas	676.17	J/mol×K	676.89	Calculated Property
Cp,gas	719.17	J/mol×K	757.67	Calculated Property
Cp,gas	755.58	J/mol×K	838.44	Calculated Property
Cp,gas	786.84	J/mol×K	919.22	Calculated Property
Cp,gas	814.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009054; 0.0002626]	Pa×s	[565.00; 845.10]	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			-1.07416e+01
Coefficient B			2.10996e+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.			565.00
Temperature range, max.			845.10
η	0.0009054	Pa×s	565.00	Calculated Property
η	0.0007450	Pa×s	596.12	Calculated Property
η	0.0006250	Pa×s	627.24	Calculated Property
η	0.0005331	Pa×s	658.37	Calculated Property
η	0.0004613	Pa×s	689.49	Calculated Property
η	0.0004042	Pa×s	720.61	Calculated Property
η	0.0003581	Pa×s	751.73	Calculated Property
η	0.0003203	Pa×s	782.86	Calculated Property
η	0.0002889	Pa×s	813.98	Calculated Property
η	0.0002626	Pa×s	845.10	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[547.39; 701.63]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			2.58079e+01
Coefficient B			-1.60597e+04
Coefficient C			8.19030e+01
Temperature range, min.			547.39
Temperature range, max.			701.63
Pvap	1.33	kPa	547.39	Calculated Property
Pvap	2.62	kPa	564.53	Calculated Property
Pvap	4.98	kPa	581.67	Calculated Property
Pvap	9.16	kPa	598.80	Calculated Property
Pvap	16.36	kPa	615.94	Calculated Property
Pvap	28.39	kPa	633.08	Calculated Property
Pvap	48.04	kPa	650.22	Calculated Property
Pvap	79.34	kPa	667.35	Calculated Property
Pvap	128.13	kPa	684.49	Calculated Property
Pvap	202.63	kPa	701.63	Calculated Property

Similar Compounds

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

Mixtures

• Benzene + Anthracene, 9,10-diphenyl-

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solution calorimetry as a complementary tool for the determination of enthalpies of vaporization and sublimation of low volatile compounds at 298.15 K
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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