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)

• 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
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 Ca...
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. Sol...
log10WS	-8.60		Estimat...
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	704.82	K	Joback Calculated Property
Tc	987.20	K	KDB
Tfus	[608.00; 625.55]	K
Tfus	608.00	K	KDB
Tfus	625.55	K	Aq. Sol...
Tfus	613.15 ± 2.00	K	NIST
Tfus	613.15 ± 2.00	K	NIST
Ttriple	623.75	K	Solubil...
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	Sublima...
Psub	2.10e-05	kPa	404.40	Sublima...
Psub	2.55e-05	kPa	405.60	Sublima...
Psub	3.39e-05	kPa	409.50	Sublima...
Psub	4.22e-05	kPa	410.60	Sublima...
Psub	5.42e-05	kPa	414.60	Sublima...
Psub	6.67e-05	kPa	415.80	Sublima...
Psub	6.39e-05	kPa	416.60	Sublima...
Psub	7.84e-05	kPa	418.60	Sublima...
Psub	8.46e-05	kPa	419.60	Sublima...
Psub	1.03e-04	kPa	420.80	Sublima...
Psub	1.28e-04	kPa	424.70	Sublima...
Psub	2.15e-04	kPa	430.10	Sublima...
Pvap	[1.24e-07; 0.85]	kPa	[298.15; 510.00]
Pvap	1.24e-07	kPa	298.15	Hypothe...
Pvap	1.62e-07	kPa	300.00	Hypothe...
Pvap	6.39e-07	kPa	310.00	Hypothe...
Pvap	2.28e-06	kPa	320.00	Hypothe...
Pvap	7.39e-06	kPa	330.00	Hypothe...
Pvap	2.20e-05	kPa	340.00	Hypothe...
Pvap	6.05e-05	kPa	350.00	Hypothe...
Pvap	1.55e-04	kPa	360.00	Hypothe...
Pvap	3.72e-04	kPa	370.00	Hypothe...
Pvap	8.40e-04	kPa	380.00	Hypothe...
Pvap	1.80e-03	kPa	390.00	Hypothe...
Pvap	3.66e-03	kPa	400.00	Hypothe...
Pvap	7.11e-03	kPa	410.00	Hypothe...
Pvap	0.01	kPa	420.00	Hypothe...
Pvap	0.02	kPa	430.00	Hypothe...
Pvap	0.04	kPa	440.00	Hypothe...
Pvap	0.07	kPa	450.00	Hypothe...
Pvap	0.11	kPa	460.00	Hypothe...
Pvap	0.18	kPa	470.00	Hypothe...
Pvap	0.27	kPa	480.00	Hypothe...
Pvap	0.40	kPa	490.00	Hypothe...
Pvap	0.59	kPa	500.00	Hypothe...
Pvap	0.85	kPa	510.00	Hypothe...

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[9.10e-05; 9.79e-04]	kPa	[420.15; 449.15]	KDB Vap...
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
• 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.