Chemical Properties of Anthracene, 1-methyl- (CAS 610-48-0)

InChI

InChI=1S/C15H12/c1-11-5-4-8-14-9-12-6-2-3-7-13(12)10-15(11)14/h2-10H,1H3

InChI Key

KZNJSFHJUQDYHE-UHFFFAOYSA-N

Formula

C15H12

SMILES

Cc1cccc2cc3ccccc3cc12

Molecular Weight¹

192.26

CAS

610-48-0

Other Names

• 1-methylanthracene
• 4-Methylanthracene

• 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_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_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	0.4732		Relay (1.0) Calculated Property
EA	[0.52; 0.55]	eV
EA	0.52 ± 0.02	eV	NIST
EA	0.55 ± 0.10	eV	NIST
ΔfG°	381.87	kJ/mol	Joback Calculated Property
ΔfH°gas	196.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.91	kJ/mol	Joback Calculated Property
ΔvapH°	87.00 ± 1.00	kJ/mol	NIST
IE	7.24	eV	Relay (1.0) Calculated Property
log10WS	-6.12		Relay (1.0) Calculated Property
logPoct/wat	4.301		Crippen Calculated Property
McVol	159.530	ml/mol	McGowan Calculated Property
Pc	2868.87	kPa	Joback Calculated Property
Inp	[315.90; 1976.30]
Inp	1966.00		NIST
Inp	1966.00		NIST
Inp	1934.80		NIST
Inp	1959.30		NIST
Inp	1976.30		NIST
Inp	1920.70		NIST
Inp	1934.80		NIST
Inp	1959.30		NIST
Inp	1976.30		NIST
Inp	1966.00		NIST
Inp	315.90		NIST
Inp	316.00		NIST
Inp	323.33		NIST
Inp	323.38		NIST
Inp	322.20		NIST
Inp	323.30		NIST
Inp	327.70		NIST
Inp	323.33		NIST
Inp	322.60		NIST
Inp	343.34		NIST
Inp	323.30		NIST
Inp	323.33		NIST
Inp	1934.80		NIST
Inp	1959.30		NIST
Inp	1966.00		NIST
Inp	315.90		NIST
Inp	323.30		NIST
Tboil	636.20	K	NIST
Tc	891.73	K	Relay (1.0) Calculated Property
Tfus	358.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.602	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.49e-05; 5.75]	kPa	[298.15; 510.00]
Pvap	1.49e-05	kPa	298.15	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.85e-05	kPa	300.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	5.68e-05	kPa	310.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.60e-04	kPa	320.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	4.19e-04	kPa	330.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.02e-03	kPa	340.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	2.34e-03	kPa	350.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	5.05e-03	kPa	360.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.01	kPa	370.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.02	kPa	380.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.04	kPa	390.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.07	kPa	400.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.12	kPa	410.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.19	kPa	420.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.31	kPa	430.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.48	kPa	440.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.74	kPa	450.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.09	kPa	460.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.59	kPa	470.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	2.25	kPa	480.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	3.13	kPa	490.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	4.28	kPa	500.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	5.75	kPa	510.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[189.54; 487.02]	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			-7.89400e+01
Coefficient B			1.22352e+00
Coefficient C			-9.62760e-04
Coefficient D			3.05200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	189.54	J/mol×K	273.00	Calculated Property
Cp,gas	246.93	J/mol×K	353.78	Calculated Property
Cp,gas	295.99	J/mol×K	434.56	Calculated Property
Cp,gas	337.67	J/mol×K	515.33	Calculated Property
Cp,gas	372.95	J/mol×K	596.11	Calculated Property
Cp,gas	402.78	J/mol×K	676.89	Calculated Property
Cp,gas	428.14	J/mol×K	757.67	Calculated Property
Cp,gas	449.99	J/mol×K	838.44	Calculated Property
Cp,gas	469.30	J/mol×K	919.22	Calculated Property
Cp,gas	487.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015516; 0.0004642]	Pa×s	[358.65; 606.64]	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			-9.42015e+00
Coefficient B			1.05862e+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.			358.65
Temperature range, max.			606.64
η	0.0015516	Pa×s	358.65	Calculated Property
η	0.0012570	Pa×s	386.20	Calculated Property
η	0.0010472	Pa×s	413.76	Calculated Property
η	0.0008926	Pa×s	441.31	Calculated Property
η	0.0007752	Pa×s	468.87	Calculated Property
η	0.0006839	Pa×s	496.42	Calculated Property
η	0.0006114	Pa×s	523.98	Calculated Property
η	0.0005527	Pa×s	551.53	Calculated Property
η	0.0005044	Pa×s	579.09	Calculated Property
η	0.0004642	Pa×s	606.64	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[454.94; 684.93]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.27019e+01
Coefficient B			-4.20009e+03
Coefficient C			-1.16618e+02
Temperature range, min.			454.94
Temperature range, max.			684.93
Pvap	1.33	kPa	454.94	Calculated Property
Pvap	3.19	kPa	480.49	Calculated Property
Pvap	6.80	kPa	506.05	Calculated Property
Pvap	13.21	kPa	531.60	Calculated Property
Pvap	23.76	kPa	557.16	Calculated Property
Pvap	40.07	kPa	582.71	Calculated Property
Pvap	64.01	kPa	608.27	Calculated Property
Pvap	97.63	kPa	633.82	Calculated Property
Pvap	143.09	kPa	659.38	Calculated Property
Pvap	202.64	kPa	684.93	Calculated Property

Similar Compounds

Find more compounds similar to Anthracene, 1-methyl-.

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
• Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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