Chemical Properties of Anthracene, 2-methyl- (CAS 613-12-7)

InChI

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

InChI Key

GYMFBYTZOGMSQJ-UHFFFAOYSA-N

Formula

C15H12

SMILES

Cc1ccc2cc3ccccc3cc2c1

Molecular Weight¹

192.26

CAS

613-12-7

Other Names

• 2-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_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
PAff	[884.90; 887.50]	kJ/mol
PAff	887.50	kJ/mol	NIST
PAff	884.90	kJ/mol	NIST
BasG	[855.10; 857.70]	kJ/mol
BasG	855.10	kJ/mol	NIST
BasG	857.70	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
ΔvapH°	[84.40; 84.50]	kJ/mol
ΔvapH°	84.50 ± 2.70	kJ/mol	NIST
ΔvapH°	84.40 ± 1.20	kJ/mol	NIST
IE	[7.37; 7.70]	eV
IE	7.37 ± 0.05	eV	NIST
IE	7.70	eV	NIST
log10WS	[-6.96; -6.96]
log10WS	-6.96		Aq. Sol...
log10WS	-6.96		Estimat...
logPoct/wat	4.301		Crippen Calculated Property
McVol	159.530	ml/mol	McGowan Calculated Property
Pc	2868.87	kPa	Joback Calculated Property
Inp	[316.50; 1955.00]
Inp	1955.00		NIST
Inp	1955.00		NIST
Inp	1920.70		NIST
Inp	1928.00		NIST
Inp	1872.00		NIST
Inp	1870.00		NIST
Inp	1883.00		NIST
Inp	1930.00		NIST
Inp	1878.00		NIST
Inp	1905.00		NIST
Inp	1955.00		NIST
Inp	316.50		NIST
Inp	317.80		NIST
Inp	321.57		NIST
Inp	320.90		NIST
Inp	321.14		NIST
Inp	321.16		NIST
Inp	320.88		NIST
Inp	321.38		NIST
Inp	321.08		NIST
Inp	320.96		NIST
Inp	321.14		NIST
Inp	321.47		NIST
Inp	321.41		NIST
Inp	321.57		NIST
Inp	321.12		NIST
Inp	321.12		NIST
Inp	321.14		NIST
Inp	321.57		NIST
Inp	341.82		NIST
Inp	320.39		NIST
Inp	320.90		NIST
Inp	321.60		NIST
Inp	320.90		NIST
Inp	321.57		NIST
Inp	322.10		NIST
Inp	319.42		NIST
Inp	319.76		NIST
Inp	321.57		NIST
Inp	1883.00		NIST
Inp	1930.00		NIST
Inp	1905.00		NIST
Inp	1920.70		NIST
Tboil	617.20	K	Joback Calculated Property
Tc	866.35	K	Joback Calculated Property
Tfus	375.67	K	Joback Calculated Property
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
ΔvapH	76.10	kJ/mol	398.00	NIST
Pvap	[2.05e-05; 6.08]	kPa	[298.15; 510.00]
Pvap	2.05e-05	kPa	298.15	Hypothe...
Pvap	2.53e-05	kPa	300.00	Hypothe...
Pvap	7.48e-05	kPa	310.00	Hypothe...
Pvap	2.04e-04	kPa	320.00	Hypothe...
Pvap	5.18e-04	kPa	330.00	Hypothe...
Pvap	1.23e-03	kPa	340.00	Hypothe...
Pvap	2.75e-03	kPa	350.00	Hypothe...
Pvap	5.81e-03	kPa	360.00	Hypothe...
Pvap	0.01	kPa	370.00	Hypothe...
Pvap	0.02	kPa	380.00	Hypothe...
Pvap	0.04	kPa	390.00	Hypothe...
Pvap	0.07	kPa	400.00	Hypothe...
Pvap	0.12	kPa	410.00	Hypothe...
Pvap	0.20	kPa	420.00	Hypothe...
Pvap	0.33	kPa	430.00	Hypothe...
Pvap	0.51	kPa	440.00	Hypothe...
Pvap	0.78	kPa	450.00	Hypothe...
Pvap	1.15	kPa	460.00	Hypothe...
Pvap	1.67	kPa	470.00	Hypothe...
Pvap	2.37	kPa	480.00	Hypothe...
Pvap	3.30	kPa	490.00	Hypothe...
Pvap	4.52	kPa	500.00	Hypothe...
Pvap	6.08	kPa	510.00	Hypothe...

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[454.92; 678.30]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.29200e+01
Coefficient B			-4.27355e+03
Coefficient C			-1.16618e+02
Temperature range, min.			454.92
Temperature range, max.			678.30
Pvap	1.33	kPa	454.92	Calculated Property
Pvap	3.16	kPa	479.74	Calculated Property
Pvap	6.71	kPa	504.56	Calculated Property
Pvap	13.02	kPa	529.38	Calculated Property
Pvap	23.42	kPa	554.20	Calculated Property
Pvap	39.57	kPa	579.02	Calculated Property
Pvap	63.36	kPa	603.84	Calculated Property
Pvap	96.93	kPa	628.66	Calculated Property
Pvap	142.57	kPa	653.48	Calculated Property
Pvap	202.67	kPa	678.30	Calculated Property

Similar Compounds

Find more compounds similar to Anthracene, 2-methyl-.

Mixtures

• Anthracene, 2-methyl- + Water

Sources

• 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
• 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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