Chemical Properties of Anthracene, 9-phenyl- (CAS 602-55-1)

InChI

InChI=1S/C20H14/c1-2-8-15(9-3-1)20-18-12-6-4-10-16(18)14-17-11-5-7-13-19(17)20/h1-14H

InChI Key

LUBXLGUQZVKOFP-UHFFFAOYSA-N

Formula

C20H14

SMILES

c1ccc(-c2c3ccccc3cc3ccccc23)cc1

Molecular Weight¹

254.33

CAS

602-55-1

Other Names

• 9-phenylanthracene

• 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).
• 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	0.5313		Relay (1.0) Calculated Property
ΔfG°	536.38	kJ/mol	Joback Calculated Property
ΔfH°gas	354.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.90	kJ/mol	Joback Calculated Property
ΔvapH°	104.29	kJ/mol	Relay (1.0) Calculated Property
IE	[7.25; 7.25]	eV
IE	7.25	eV	NIST
IE	7.25	eV	NIST
log10WS	-7.14		Relay (1.0) Calculated Property
logPoct/wat	5.660		Crippen Calculated Property
McVol	206.220	ml/mol	McGowan Calculated Property
Pc	2460.47	kPa	Joback Calculated Property
Inp	[394.37; 2374.00]
Inp	Outlier 2374.00		NIST
Inp	394.37		NIST
Inp	396.38		NIST
Inp	406.47		NIST
Inp	406.47		NIST
Inp	406.90		NIST
Inp	395.50		NIST
Inp	396.05		NIST
Inp	396.38		NIST
Inp	394.37		NIST
Tboil	690.20	K	NIST
Tc	1004.57	K	Relay (1.0) Calculated Property
Tfus	[423.00; 427.60]	K
Tfus	427.60 ± 0.80	K	NIST
Tfus	425.00 ± 3.00	K	NIST
Tfus	423.00 ± 3.00	K	NIST
Vc	0.764	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔsubH	[115.30; 119.70]	kJ/mol	[373.50; 389.50]
ΔsubH	119.70	kJ/mol	373.50	NIST
ΔsubH	118.70	kJ/mol	383.00	NIST
ΔsubH	115.30	kJ/mol	389.50	NIST
ΔvapH	[84.40; 125.50]	kJ/mol	[298.15; 474.00]
ΔvapH	125.50	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	91.60	kJ/mol	398.00	NIST
ΔvapH	84.40	kJ/mol	470.00	NIST
ΔvapH	86.20	kJ/mol	474.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[238.35; 626.45]	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			-1.17390e+02
Coefficient B			1.61960e+00
Coefficient C			-1.26596e-03
Coefficient D			3.90200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	238.35	J/mol×K	273.00	Calculated Property
Cp,gas	314.42	J/mol×K	353.78	Calculated Property
Cp,gas	379.37	J/mol×K	434.56	Calculated Property
Cp,gas	434.45	J/mol×K	515.33	Calculated Property
Cp,gas	480.87	J/mol×K	596.11	Calculated Property
Cp,gas	519.88	J/mol×K	676.89	Calculated Property
Cp,gas	552.71	J/mol×K	757.67	Calculated Property
Cp,gas	580.59	J/mol×K	838.44	Calculated Property
Cp,gas	604.76	J/mol×K	919.22	Calculated Property
Cp,gas	626.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017576; 0.0003902]	Pa×s	[425.20; 720.07]	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			-1.00194e+01
Coefficient B			1.56284e+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.			425.20
Temperature range, max.			720.07
η	0.0017576	Pa×s	425.20	Calculated Property
η	0.0013512	Pa×s	457.96	Calculated Property
η	0.0010759	Pa×s	490.73	Calculated Property
η	0.0008815	Pa×s	523.49	Calculated Property
η	0.0007393	Pa×s	556.25	Calculated Property
η	0.0006324	Pa×s	589.02	Calculated Property
η	0.0005498	Pa×s	621.78	Calculated Property
η	0.0004848	Pa×s	654.54	Calculated Property
η	0.0004327	Pa×s	687.31	Calculated Property
η	0.0003902	Pa×s	720.07	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[519.57; 622.86]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			2.57575e+01
Coefficient B			-1.07072e+04
Coefficient C			-9.91840e+01
Temperature range, min.			519.57
Temperature range, max.			622.86
Pvap	1.33	kPa	519.57	Calculated Property
Pvap	2.62	kPa	531.05	Calculated Property
Pvap	4.98	kPa	542.52	Calculated Property
Pvap	9.17	kPa	554.00	Calculated Property
Pvap	16.37	kPa	565.48	Calculated Property
Pvap	28.41	kPa	576.95	Calculated Property
Pvap	48.06	kPa	588.43	Calculated Property
Pvap	79.37	kPa	599.91	Calculated Property
Pvap	128.15	kPa	611.38	Calculated Property
Pvap	202.62	kPa	622.86	Calculated Property

Similar Compounds

Find more compounds similar to Anthracene, 9-phenyl-.

Mixtures

• Benzene + Anthracene, 9-phenyl-
• Anthracene, 9-phenyl- + Water

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Improving the method of solution calorimetry for evaluation of the enthalpies of phase transitions and condensed state enthalpies of formation
• Solution calorimetry as a complementary tool for the determination of enthalpies of vaporization and sublimation of low volatile compounds at 298.15 K
• Solubilities of Triptycene, 9-Phenylanthracene, 9,10-Dimethylanthracene, and 2-Methylanthracene in Pressurized Hot Water at Temperatures from 313 K to the Melting Point
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
These property values are available through the Cheméo API. A free account gives you an access key.