Chemical Properties of 9,10-Dimethylanthracene (CAS 781-43-1)

InChI

InChI=1S/C16H14/c1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16/h3-10H,1-2H3

InChI Key

JTGMTYWYUZDRBK-UHFFFAOYSA-N

Formula

C16H14

SMILES

Cc1c2ccccc2c(C)c2ccccc12

Molecular Weight¹

206.28

CAS

781-43-1

Other Names

• 9:10-Dimethylanthracene
• Anthracene, 9,10-dimethyl-

• 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 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).
• 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	0.4996		Relay (1.0) Calculated Property
ΔfG°	380.66	kJ/mol	Joback Calculated Property
ΔfH°gas	167.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.11	kJ/mol	Joback Calculated Property
ΔsubH°	113.00 ± 1.70	kJ/mol	NIST
ΔvapH°	94.50 ± 0.20	kJ/mol	NIST
IE	7.36	eV	Relay (1.0) Calculated Property
log10WS	[-6.57; -6.57]
log10WS	-6.57		Aq. Solubility Prediction
log10WS	-6.57		Estimated Solubility
logPoct/wat	4.610		Crippen Calculated Property
McVol	173.620	ml/mol	McGowan Calculated Property
Pc	2555.92	kPa	Joback Calculated Property
Inp	[349.10; 2156.70]
Inp	2135.50		NIST
Inp	2135.10		NIST
Inp	2107.60		NIST
Inp	2135.50		NIST
Inp	2152.60		NIST
Inp	2106.00		NIST
Inp	2156.70		NIST
Inp	2107.60		NIST
Inp	2135.50		NIST
Inp	2152.60		NIST
Inp	2135.50		NIST
Inp	2135.10		NIST
Inp	2156.00		NIST
Inp	349.10		NIST
Inp	355.59		NIST
Inp	355.21		NIST
Inp	355.09		NIST
Inp	355.49		NIST
Inp	355.70		NIST
Inp	351.98		NIST
Inp	355.49		NIST
Tboil	637.53	K	Relay (1.0) Calculated Property
Tc	894.08	K	Relay (1.0) Calculated Property
Tfus	459.50	K	Thermochemistry of some alkylsubstituted anthracenes
Vc	0.654	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[429.69; 508.31]	J/mol×K	[645.06; 889.67]
Cp,gas	429.69	J/mol×K	645.06	Joback Calculated Property
Cp,gas	445.30	J/mol×K	685.83	Joback Calculated Property
Cp,gas	459.74	J/mol×K	726.60	Joback Calculated Property
Cp,gas	473.15	J/mol×K	767.36	Joback Calculated Property
Cp,gas	485.63	J/mol×K	808.13	Joback Calculated Property
Cp,gas	497.31	J/mol×K	848.90	Joback Calculated Property
Cp,gas	508.31	J/mol×K	889.67	Joback Calculated Property
η	[0.0004320; 0.0012344]	Pa×s	[399.46; 645.06]
η	0.0012344	Pa×s	399.46	Joback Calculated Property
η	0.0009553	Pa×s	440.39	Joback Calculated Property
η	0.0007722	Pa×s	481.33	Joback Calculated Property
η	0.0006454	Pa×s	522.26	Joback Calculated Property
η	0.0005537	Pa×s	563.19	Joback Calculated Property
η	0.0004850	Pa×s	604.13	Joback Calculated Property
η	0.0004320	Pa×s	645.06	Joback Calculated Property
ΔsubH	[103.20; 114.60]	kJ/mol	[370.50; 407.50]
ΔsubH	109.40 ± 1.70	kJ/mol	370.50	NIST
ΔsubH	114.60	kJ/mol	377.00	NIST
ΔsubH	103.20	kJ/mol	407.50	NIST
Pvap	[2.46e-06; 2.64]	kPa	[298.15; 510.00]
Pvap	2.46e-06	kPa	298.15	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	3.11e-06	kPa	300.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.05e-05	kPa	310.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	3.25e-05	kPa	320.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	9.21e-05	kPa	330.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	2.42e-04	kPa	340.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	5.93e-04	kPa	350.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.36e-03	kPa	360.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	2.95e-03	kPa	370.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	6.07e-03	kPa	380.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.01	kPa	390.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.02	kPa	400.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.04	kPa	410.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.07	kPa	420.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.12	kPa	430.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.19	kPa	440.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.29	kPa	450.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.45	kPa	460.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.67	kPa	470.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.97	kPa	480.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.38	kPa	490.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.93	kPa	500.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	2.64	kPa	510.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[467.74; 696.24]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.29338e+01
Coefficient B			-4.38417e+03
Coefficient C			-1.21066e+02
Temperature range, min.			467.74
Temperature range, max.			696.24
Pvap	1.33	kPa	467.74	Calculated Property
Pvap	3.16	kPa	493.13	Calculated Property
Pvap	6.71	kPa	518.52	Calculated Property
Pvap	13.01	kPa	543.91	Calculated Property
Pvap	23.40	kPa	569.30	Calculated Property
Pvap	39.53	kPa	594.68	Calculated Property
Pvap	63.31	kPa	620.07	Calculated Property
Pvap	96.87	kPa	645.46	Calculated Property
Pvap	142.52	kPa	670.85	Calculated Property
Pvap	202.65	kPa	696.24	Calculated Property

Similar Compounds

Find more compounds similar to 9,10-Dimethylanthracene.

Mixtures

• 9,10-Dimethylanthracene + Water

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Thermochemistry of some alkylsubstituted anthracenes
• 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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