Chemical Properties of Anthracene, 9-methyl- (CAS 779-02-2)

InChI

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

InChI Key

CPGPAVAKSZHMBP-UHFFFAOYSA-N

Formula

C15H12

SMILES

Cc1c2ccccc2cc2ccccc12

Molecular Weight¹

192.26

CAS

779-02-2

Other Names

• 9-Methylanthracene

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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 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_boilr : Boiling point at reduced pressure (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
PAff	[893.70; 896.50]	kJ/mol
PAff	896.50	kJ/mol	NIST
PAff	893.70	kJ/mol	NIST
BasG	[865.70; 865.80]	kJ/mol
BasG	865.80	kJ/mol	NIST
BasG	865.70	kJ/mol	NIST
ΔfG°	381.87	kJ/mol	Joback Calculated Property
ΔfH°gas	242.80	kJ/mol	Joback Calculated Property
ΔfusH°	21.91	kJ/mol	Joback Calculated Property
ΔsubH°	101.80 ± 1.00	kJ/mol	NIST
ΔvapH°	88.10 ± 1.00	kJ/mol	NIST
IE	[7.24; 7.46]	eV
IE	7.31 ± 0.05	eV	NIST
IE	7.24 ± 0.03	eV	NIST
IE	7.25	eV	NIST
IE	Outlier 7.46 ± 0.03	eV	NIST
IE	7.24 ± 0.03	eV	NIST
IE	7.27	eV	NIST
log10WS	[-5.89; -5.89]
log10WS	-5.89		Aq. Sol...
log10WS	-5.89		Estimat...
logPoct/wat	4.301		Crippen Calculated Property
McVol	159.530	ml/mol	McGowan Calculated Property
Pc	2868.87	kPa	Joback Calculated Property
Inp	[309.19; 1999.00]
Inp	1999.00		NIST
Inp	1999.00		NIST
Inp	1941.20		NIST
Inp	1980.00		NIST
Inp	1926.00		NIST
Inp	1999.00		NIST
Inp	312.30		NIST
Inp	309.19		NIST
Inp	329.09		NIST
Inp	329.36		NIST
Inp	329.52		NIST
Inp	329.13		NIST
Inp	309.70		NIST
Inp	330.10		NIST
Inp	324.16		NIST
Inp	327.74		NIST
Inp	329.13		NIST
Tboil	617.20	K	Joback Calculated Property
Tc	866.35	K	Joback Calculated Property
Tfus	[352.53; 354.80]	K
Tfus	352.53	K	Aq. Sol...
Tfus	354.80	K	Thermoc...
Tfus	354.00 ± 2.00	K	NIST
Tfus	354.00 ± 4.00	K	NIST
Vc	0.612	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[381.22; 456.90]	J/mol×K	[617.20; 866.35]
Cp,gas	381.22	J/mol×K	617.20	Joback Calculated Property
Cp,gas	396.50	J/mol×K	658.73	Joback Calculated Property
Cp,gas	410.54	J/mol×K	700.25	Joback Calculated Property
Cp,gas	423.46	J/mol×K	741.78	Joback Calculated Property
Cp,gas	435.41	J/mol×K	783.30	Joback Calculated Property
Cp,gas	446.52	J/mol×K	824.83	Joback Calculated Property
Cp,gas	456.90	J/mol×K	866.35	Joback Calculated Property
η	[0.0004506; 0.0013574]	Pa×s	[375.67; 617.20]
η	0.0013574	Pa×s	375.67	Joback Calculated Property
η	0.0010334	Pa×s	415.93	Joback Calculated Property
η	0.0008255	Pa×s	456.18	Joback Calculated Property
η	0.0006839	Pa×s	496.44	Joback Calculated Property
η	0.0005828	Pa×s	536.69	Joback Calculated Property
η	0.0005079	Pa×s	576.95	Joback Calculated Property
η	0.0004506	Pa×s	617.20	Joback Calculated Property
ΔsubH	99.80 ± 1.00	kJ/mol	337.00	NIST
ΔvapH	[56.50; 98.90]	kJ/mol	[378.00; 505.00]
ΔvapH	98.90	kJ/mol	378.00	NIST
ΔvapH	58.10	kJ/mol	469.00	NIST
ΔvapH	56.50	kJ/mol	469.00	NIST
ΔvapH	58.50	kJ/mol	505.00	NIST
Pvap	[1.08e-05; 4.97]	kPa	[298.15; 510.00]
Pvap	1.08e-05	kPa	298.15	Hypothe...
Pvap	1.34e-05	kPa	300.00	Hypothe...
Pvap	4.19e-05	kPa	310.00	Hypothe...
Pvap	1.20e-04	kPa	320.00	Hypothe...
Pvap	3.18e-04	kPa	330.00	Hypothe...
Pvap	7.86e-04	kPa	340.00	Hypothe...
Pvap	1.82e-03	kPa	350.00	Hypothe...
Pvap	3.97e-03	kPa	360.00	Hypothe...
Pvap	8.20e-03	kPa	370.00	Hypothe...
Pvap	0.02	kPa	380.00	Hypothe...
Pvap	0.03	kPa	390.00	Hypothe...
Pvap	0.05	kPa	400.00	Hypothe...
Pvap	0.09	kPa	410.00	Hypothe...
Pvap	0.16	kPa	420.00	Hypothe...
Pvap	0.26	kPa	430.00	Hypothe...
Pvap	0.41	kPa	440.00	Hypothe...
Pvap	0.62	kPa	450.00	Hypothe...
Pvap	0.93	kPa	460.00	Hypothe...
Pvap	1.35	kPa	470.00	Hypothe...
Pvap	1.93	kPa	480.00	Hypothe...
Pvap	2.69	kPa	490.00	Hypothe...
Pvap	3.69	kPa	500.00	Hypothe...
Pvap	4.97	kPa	510.00	Hypothe...

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[454.94; 678.28]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.29219e+01
Coefficient B			-4.27451e+03
Coefficient C			-1.16618e+02
Temperature range, min.			454.94
Temperature range, max.			678.28
Pvap	1.33	kPa	454.94	Calculated Property
Pvap	3.16	kPa	479.76	Calculated Property
Pvap	6.71	kPa	504.57	Calculated Property
Pvap	13.02	kPa	529.39	Calculated Property
Pvap	23.42	kPa	554.20	Calculated Property
Pvap	39.56	kPa	579.02	Calculated Property
Pvap	63.34	kPa	603.83	Calculated Property
Pvap	96.91	kPa	628.65	Calculated Property
Pvap	142.54	kPa	653.46	Calculated Property
Pvap	202.64	kPa	678.28	Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Thermochemistry of some alkylsubstituted anthracenes
• Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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