Chemical Properties of Naphthacene (CAS 92-24-0)

InChI

InChI=1S/C18H12/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-12H

InChI Key

IFLREYGFSNHWGE-UHFFFAOYSA-N

Formula

C18H12

SMILES

c1ccc2cc3cc4ccccc4cc3cc2c1

Molecular Weight¹

228.29

CAS

92-24-0

Other Names

• 2,3-Benzanthracene
• 2,3-Benzanthrene
• Benz[b]anthracene
• Benzo[b]anthracene
• CHRYSOGEN
• METHACENE
• Napthacene
• RUBENE
• Tetracen
• Tetracene
• Tetracene (hydrocarbon)

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fH°_solid : Solid phase 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_sub : Sublimation pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5287		Relay (1.0) Calculated Property
PAff	[905.50; 908.30]	kJ/mol
PAff	905.50	kJ/mol	NIST
PAff	908.30	kJ/mol	NIST
BasG	[876.50; 884.10]	kJ/mol
BasG	876.50	kJ/mol	NIST
BasG	884.10	kJ/mol	NIST
ΔcH°solid	-8956.90 ± 1.30	kJ/mol	NIST
EA	[0.88; 1.07]	eV
EA	1.06 ± 0.01	eV	NIST
EA	1.07 ± 0.04	eV	NIST
EA	0.88 ± 0.04	eV	NIST
ΔfG°	513.78	kJ/mol	Joback Calculated Property
ΔfH°gas	342.60 ± 5.90	kJ/mol	NIST
ΔfH°solid	206.70 ± 3.00	kJ/mol	NIST
ΔfusH°	36.80	kJ/mol	Heat Capacities of Tetracene and Pentacene
ΔsubH°	[125.00; 144.00]	kJ/mol
ΔsubH°	136.10 ± 0.30	kJ/mol	NIST
ΔsubH°	144.00 ± 5.00	kJ/mol	NIST
ΔsubH°	143.70 ± 0.50	kJ/mol	NIST
ΔsubH°	125.00	kJ/mol	NIST
ΔvapH°	106.20 ± 3.70	kJ/mol	NIST
IE	[6.64; 7.04]	eV
IE	6.97 ± 0.05	eV	NIST
IE	6.97	eV	NIST
IE	6.90 ± 0.30	eV	NIST
IE	6.97	eV	NIST
IE	7.04	eV	NIST
IE	7.04 ± 0.04	eV	NIST
IE	7.01	eV	NIST
IE	7.00 ± 0.30	eV	NIST
IE	6.94	eV	NIST
IE	6.95	eV	NIST
IE	6.90	eV	NIST
IE	7.00	eV	NIST
IE	7.00	eV	NIST
IE	Outlier 6.64	eV	NIST
IE	6.97 ± 0.02	eV	NIST
IE	7.01	eV	NIST
log10WS	[-8.60; -8.60]
log10WS	-8.60		Aq. Solubility Prediction
log10WS	-8.60		Estimated Solubility
logPoct/wat	5.146		Crippen Calculated Property
McVol	182.340	ml/mol	McGowan Calculated Property
Pc	2511.00	kPa	KDB
Inp	[401.28; 2436.00]
Inp	2426.00		NIST
Inp	2425.00		NIST
Inp	2395.00		NIST
Inp	2425.00		NIST
Inp	2386.00		NIST
Inp	2436.00		NIST
Inp	403.90		NIST
Inp	405.00		NIST
Inp	403.50		NIST
Inp	403.15		NIST
Inp	402.86		NIST
Inp	407.30		NIST
Inp	403.52		NIST
Inp	408.30		NIST
Inp	401.28		NIST
Inp	405.70		NIST
Inp	403.51		NIST
Inp	403.70		NIST
Inp	403.89		NIST
Inp	408.30		NIST
Inp	2395.00		NIST
S°solid,1 bar	215.40	J/mol×K	NIST
Tboil	719.01	K	Relay (1.0) Calculated Property
Tc	987.20	K	KDB
Tfus	[608.00; 625.55]	K
Tfus	608.00	K	KDB
Tfus	625.55	K	Aq. Solubility Prediction
Tfus	613.15 ± 2.00	K	NIST
Tfus	613.15 ± 2.00	K	NIST
Ttriple	623.75	K	Solubilities of Organic Semiconductors and Nonsteroidal Anti-inflammatory Drugs in Pure and Mixed Organic Solvents: Measurement and Modeling with Hansen Solubility Parameter
Vc	0.700	m3/kmol	KDB
Zc	0.2141430		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[468.00; 543.24]	J/mol×K	[704.82; 968.39]
Cp,gas	468.00	J/mol×K	704.82	Joback Calculated Property
Cp,gas	482.86	J/mol×K	748.75	Joback Calculated Property
Cp,gas	496.51	J/mol×K	792.68	Joback Calculated Property
Cp,gas	509.15	J/mol×K	836.61	Joback Calculated Property
Cp,gas	521.02	J/mol×K	880.54	Joback Calculated Property
Cp,gas	532.31	J/mol×K	924.47	Joback Calculated Property
Cp,gas	543.24	J/mol×K	968.39	Joback Calculated Property
Cp,solid	236.60	J/mol×K	298.15	NIST
η	[0.0007153; 0.0017235]	Pa×s	[442.18; 704.82]
η	0.0017235	Pa×s	442.18	Joback Calculated Property
η	0.0013935	Pa×s	485.95	Joback Calculated Property
η	0.0011669	Pa×s	529.73	Joback Calculated Property
η	0.0010040	Pa×s	573.50	Joback Calculated Property
η	0.0008825	Pa×s	617.27	Joback Calculated Property
η	0.0007890	Pa×s	661.05	Joback Calculated Property
η	0.0007153	Pa×s	704.82	Joback Calculated Property
ΔsubH	[117.20; 132.60]	kJ/mol	[293.00; 463.00]
ΔsubH	124.00	kJ/mol	293.00	NIST
ΔsubH	126.50	kJ/mol	383.00	NIST
ΔsubH	124.80 ± 2.60	kJ/mol	414.50	NIST
ΔsubH	125.00 ± 4.00	kJ/mol	422.00	NIST
ΔsubH	126.10 ± 9.00	kJ/mol	429.00	NIST
ΔsubH	132.60	kJ/mol	458.00	NIST
ΔsubH	117.20	kJ/mol	459.00	NIST
ΔsubH	128.80	kJ/mol	463.00	NIST
Psub	[1.46e-05; 2.15e-04]	kPa	[399.00; 430.10]
Psub	1.46e-05	kPa	399.00	Sublimation Thermodynamic Parameters for Cholesterol, Ergosterol,
Psub	2.10e-05	kPa	404.40	Sublimation Thermodynamic Parameters for Cholesterol, Ergosterol,
Psub	2.55e-05	kPa	405.60	Sublimation Thermodynamic Parameters for Cholesterol, Ergosterol,
Psub	3.39e-05	kPa	409.50	Sublimation Thermodynamic Parameters for Cholesterol, Ergosterol,
Psub	4.22e-05	kPa	410.60	Sublimation Thermodynamic Parameters for Cholesterol, Ergosterol,
Psub	5.42e-05	kPa	414.60	Sublimation Thermodynamic Parameters for Cholesterol, Ergosterol,
Psub	6.67e-05	kPa	415.80	Sublimation Thermodynamic Parameters for Cholesterol, Ergosterol,
Psub	6.39e-05	kPa	416.60	Sublimation Thermodynamic Parameters for Cholesterol, Ergosterol,
Psub	7.84e-05	kPa	418.60	Sublimation Thermodynamic Parameters for Cholesterol, Ergosterol,
Psub	8.46e-05	kPa	419.60	Sublimation Thermodynamic Parameters for Cholesterol, Ergosterol,
Psub	1.03e-04	kPa	420.80	Sublimation Thermodynamic Parameters for Cholesterol, Ergosterol,
Psub	1.28e-04	kPa	424.70	Sublimation Thermodynamic Parameters for Cholesterol, Ergosterol,
Psub	2.15e-04	kPa	430.10	Sublimation Thermodynamic Parameters for Cholesterol, Ergosterol,
Pvap	[1.24e-07; 0.85]	kPa	[298.15; 510.00]
Pvap	1.24e-07	kPa	298.15	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.62e-07	kPa	300.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	6.39e-07	kPa	310.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	2.28e-06	kPa	320.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	7.39e-06	kPa	330.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	2.20e-05	kPa	340.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	6.05e-05	kPa	350.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.55e-04	kPa	360.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	3.72e-04	kPa	370.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	8.40e-04	kPa	380.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.80e-03	kPa	390.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	3.66e-03	kPa	400.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	7.11e-03	kPa	410.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.01	kPa	420.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.02	kPa	430.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.04	kPa	440.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.07	kPa	450.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.11	kPa	460.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.18	kPa	470.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.27	kPa	480.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.40	kPa	490.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.59	kPa	500.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.85	kPa	510.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[9.10e-05; 9.79e-04]	kPa	[420.15; 449.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			2.74648e+01
Coefficient B			-1.54566e+04
Coefficient C			3.15863e-03
Coefficient D			-2.56685e-09
Temperature range, min.			420.15
Temperature range, max.			449.15
Pvap	9.10e-05	kPa	420.15	Calculated Property
Pvap	1.20e-04	kPa	423.37	Calculated Property
Pvap	1.59e-04	kPa	426.59	Calculated Property
Pvap	2.08e-04	kPa	429.82	Calculated Property
Pvap	2.72e-04	kPa	433.04	Calculated Property
Pvap	3.54e-04	kPa	436.26	Calculated Property
Pvap	4.59e-04	kPa	439.48	Calculated Property
Pvap	5.93e-04	kPa	442.71	Calculated Property
Pvap	7.63e-04	kPa	445.93	Calculated Property
Pvap	9.79e-04	kPa	449.15	Calculated Property

Similar Compounds

Find more compounds similar to Naphthacene.

Mixtures

• Ethanol + Naphthacene
• Acetonitrile + Naphthacene
• n-Hexane + Naphthacene
• Acetone + Naphthacene
• Naphthacene + Carbon Tetrachloride
• Benzene, chloro- + Naphthacene
• Trichloromethane + Naphthacene

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Solubilities of Organic Semiconductors and Nonsteroidal Anti-inflammatory Drugs in Pure and Mixed Organic Solvents: Measurement and Modeling with Hansen Solubility Parameter
• Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
• Heat Capacities of Tetracene and Pentacene
• Sublimation Thermodynamic Parameters for Cholesterol, Ergosterol,
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.