Chemical Properties of Anthracene, 2-ethyl- (CAS 52251-71-5)

InChI

InChI=1S/C16H14/c1-2-12-7-8-15-10-13-5-3-4-6-14(13)11-16(15)9-12/h3-11H,2H2,1H3

InChI Key

ZXAGXLDEMUNQSH-UHFFFAOYSA-N

Formula

C16H14

SMILES

CCc1ccc2cc3ccccc3cc2c1

Molecular Weight¹

206.28

CAS

52251-71-5

Other Names

• 2-Ethylanthracene

• 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	0.5144		Relay (1.0) Calculated Property
ΔfG°	390.29	kJ/mol	Joback Calculated Property
ΔfH°gas	173.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.50	kJ/mol	Joback Calculated Property
ΔsubH°	107.60 ± 0.60	kJ/mol	NIST
ΔvapH°	91.40 ± 1.10	kJ/mol	NIST
IE	7.40	eV	Relay (1.0) Calculated Property
log10WS	-6.89		Aq. Solubility Prediction
logPoct/wat	4.555		Crippen Calculated Property
McVol	173.620	ml/mol	McGowan Calculated Property
Pc	2595.13	kPa	Joback Calculated Property
Inp	[337.28; 337.28]
Inp	337.28		NIST
Inp	337.28		NIST
Tboil	641.94	K	Relay (1.0) Calculated Property
Tc	889.38	K	Relay (1.0) Calculated Property
Tfus	427.60	K	Thermochemistry of some alkylsubstituted anthracenes
Vc	0.660	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[430.53; 509.85]	J/mol×K	[640.08; 883.76]
Cp,gas	430.53	J/mol×K	640.08	Joback Calculated Property
Cp,gas	446.38	J/mol×K	680.69	Joback Calculated Property
Cp,gas	461.00	J/mol×K	721.31	Joback Calculated Property
Cp,gas	474.53	J/mol×K	761.92	Joback Calculated Property
Cp,gas	487.10	J/mol×K	802.53	Joback Calculated Property
Cp,gas	498.83	J/mol×K	843.15	Joback Calculated Property
Cp,gas	509.85	J/mol×K	883.76	Joback Calculated Property
η	[0.0004317; 0.0014025]	Pa×s	[386.94; 640.08]
η	0.0014025	Pa×s	386.94	Joback Calculated Property
η	0.0010464	Pa×s	429.13	Joback Calculated Property
η	0.0008227	Pa×s	471.32	Joback Calculated Property
η	0.0006730	Pa×s	513.51	Joback Calculated Property
η	0.0005675	Pa×s	555.70	Joback Calculated Property
η	0.0004902	Pa×s	597.89	Joback Calculated Property
η	0.0004317	Pa×s	640.08	Joback Calculated Property
ΔsubH	104.90 ± 0.60	kJ/mol	351.00	NIST
Pvap	[5.77e-06; 4.22]	kPa	[298.15; 510.00]
Pvap	5.77e-06	kPa	298.15	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	7.25e-06	kPa	300.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	2.36e-05	kPa	310.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	7.01e-05	kPa	320.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.92e-04	kPa	330.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	4.90e-04	kPa	340.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.17e-03	kPa	350.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	2.62e-03	kPa	360.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	5.54e-03	kPa	370.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.01	kPa	380.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.02	kPa	390.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.04	kPa	400.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.07	kPa	410.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.12	kPa	420.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.20	kPa	430.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.31	kPa	440.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.49	kPa	450.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.74	kPa	460.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.09	kPa	470.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.58	kPa	480.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	2.23	kPa	490.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	3.09	kPa	500.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	4.22	kPa	510.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• 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
• McGowan Method
• NIST Webbook

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