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

• 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
ΔfG°	536.38	kJ/mol	Joback Calculated Property
ΔfH°gas	376.13	kJ/mol	Joback Calculated Property
ΔfusH°	28.90	kJ/mol	Joback Calculated Property
ΔvapH°	69.27	kJ/mol	Joback Calculated Property
IE	[7.25; 7.25]	eV
IE	7.25	eV	NIST
IE	7.25	eV	NIST
log10WS	-7.68		Crippen 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	1028.40	K	Joback 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	0.783	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[552.94; 633.72]	J/mol×K	[758.28; 1028.40]
Cp,gas	552.94	J/mol×K	758.28	Joback Calculated Property
Cp,gas	568.99	J/mol×K	803.30	Joback Calculated Property
Cp,gas	583.72	J/mol×K	848.32	Joback Calculated Property
Cp,gas	597.34	J/mol×K	893.34	Joback Calculated Property
Cp,gas	610.08	J/mol×K	938.36	Joback Calculated Property
Cp,gas	622.13	J/mol×K	983.38	Joback Calculated Property
Cp,gas	633.72	J/mol×K	1028.40	Joback Calculated Property
η	[0.0003497; 0.0013464]	Pa×s	[458.44; 758.28]
η	0.0013464	Pa×s	458.44	Joback Calculated Property
η	0.0009631	Pa×s	508.41	Joback Calculated Property
η	0.0007314	Pa×s	558.39	Joback Calculated Property
η	0.0005812	Pa×s	608.36	Joback Calculated Property
η	0.0004782	Pa×s	658.33	Joback Calculated Property
η	0.0004045	Pa×s	708.31	Joback Calculated Property
η	0.0003497	Pa×s	758.28	Joback Calculated Property
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; 91.60]	kJ/mol	[398.00; 474.00]
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
Pvap	[1.33; 202.62]	kPa	[519.57; 622.86]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

• Anthracene, 9-phenyl- + Water

Sources

• Crippen Method
• Crippen Method
• 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.