Chemical Properties of Anthracene, 9-nitro- (CAS 602-60-8)

InChI

InChI=1S/C14H9NO2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H

InChI Key

LSIKFJXEYJIZNB-UHFFFAOYSA-N

Formula

C14H9NO2

SMILES

O=[N+]([O-])c1c2ccccc2cc2ccccc12

Molecular Weight¹

223.23

CAS

602-60-8

Other Names

• 5-Nitroanthracene
• 9-nitroanthracene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• 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	0.5958		Relay (1.0) Calculated Property
EA	[1.43; 1.77]	eV
EA	1.43 ± 0.10	eV	NIST
EA	1.77 ± 0.05	eV	NIST
ΔfG°	409.00	kJ/mol	Joback Calculated Property
ΔfH°gas	206.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.68	kJ/mol	Joback Calculated Property
ΔsubH°	115.40 ± 0.60	kJ/mol	NIST
ΔvapH°	86.10	kJ/mol	Relay (1.0) Calculated Property
IE	[7.86; 7.88]	eV
IE	7.86 ± 0.01	eV	NIST
IE	7.88 ± 0.03	eV	NIST
log10WS	-5.11		Relay (1.0) Calculated Property
logPoct/wat	3.901		Crippen Calculated Property
McVol	162.860	ml/mol	McGowan Calculated Property
Pc	3231.98	kPa	Joback Calculated Property
Inp	[356.50; 2046.00]
Inp	Outlier 2046.00		NIST
Inp	356.50		NIST
Inp	357.42		NIST
Inp	356.95		NIST
Inp	357.11		NIST
Inp	356.59		NIST
Inp	356.62		NIST
Inp	356.69		NIST
Inp	357.42		NIST
Inp	357.42		NIST
Inp	365.70		NIST
Inp	Outlier 2046.00		NIST
Inp	356.50		NIST
Inp	356.62		NIST
Tboil	666.30	K	Relay (1.0) Calculated Property
Tc	989.67	K	Relay (1.0) Calculated Property
Tfus	422.97	K	Relay (1.0) Calculated Property
Vc	0.580	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[424.33; 485.75]	J/mol×K	[746.16; 1021.21]
Cp,gas	424.33	J/mol×K	746.16	Joback Calculated Property
Cp,gas	436.51	J/mol×K	792.00	Joback Calculated Property
Cp,gas	447.68	J/mol×K	837.84	Joback Calculated Property
Cp,gas	458.00	J/mol×K	883.68	Joback Calculated Property
Cp,gas	467.67	J/mol×K	929.53	Joback Calculated Property
Cp,gas	476.86	J/mol×K	975.37	Joback Calculated Property
Cp,gas	485.75	J/mol×K	1021.21	Joback Calculated Property
ΔfusH	20.10	kJ/mol	420.40	NIST
ΔsubH	111.90 ± 0.60	kJ/mol	369.00	NIST
Psub	[1.90e-04; 9.28e-04]	kPa	[361.11; 377.06]
Psub	1.90e-04	kPa	361.11	Thermochemistry of nitronaphthalenes and nitroanthracenes
Psub	1.96e-04	kPa	361.11	Thermochemistry of nitronaphthalenes and nitroanthracenes
Psub	1.95e-04	kPa	361.11	Thermochemistry of nitronaphthalenes and nitroanthracenes
Psub	2.36e-04	kPa	363.08	Thermochemistry of nitronaphthalenes and nitroanthracenes
Psub	2.36e-04	kPa	363.08	Thermochemistry of nitronaphthalenes and nitroanthracenes
Psub	2.38e-04	kPa	363.08	Thermochemistry of nitronaphthalenes and nitroanthracenes
Psub	2.91e-04	kPa	365.26	Thermochemistry of nitronaphthalenes and nitroanthracenes
Psub	2.91e-04	kPa	365.26	Thermochemistry of nitronaphthalenes and nitroanthracenes
Psub	2.94e-04	kPa	365.26	Thermochemistry of nitronaphthalenes and nitroanthracenes
Psub	3.42e-04	kPa	367.09	Thermochemistry of nitronaphthalenes and nitroanthracenes
Psub	3.54e-04	kPa	367.09	Thermochemistry of nitronaphthalenes and nitroanthracenes
Psub	3.39e-04	kPa	367.09	Thermochemistry of nitronaphthalenes and nitroanthracenes
Psub	4.31e-04	kPa	369.04	Thermochemistry of nitronaphthalenes and nitroanthracenes
Psub	4.39e-04	kPa	369.04	Thermochemistry of nitronaphthalenes and nitroanthracenes
Psub	4.27e-04	kPa	369.04	Thermochemistry of nitronaphthalenes and nitroanthracenes
Psub	5.32e-04	kPa	371.26	Thermochemistry of nitronaphthalenes and nitroanthracenes
Psub	5.26e-04	kPa	371.26	Thermochemistry of nitronaphthalenes and nitroanthracenes
Psub	5.34e-04	kPa	371.26	Thermochemistry of nitronaphthalenes and nitroanthracenes
Psub	6.40e-04	kPa	373.26	Thermochemistry of nitronaphthalenes and nitroanthracenes
Psub	6.43e-04	kPa	373.26	Thermochemistry of nitronaphthalenes and nitroanthracenes
Psub	6.47e-04	kPa	373.26	Thermochemistry of nitronaphthalenes and nitroanthracenes
Psub	7.72e-04	kPa	375.00	Thermochemistry of nitronaphthalenes and nitroanthracenes
Psub	7.73e-04	kPa	375.00	Thermochemistry of nitronaphthalenes and nitroanthracenes
Psub	7.61e-04	kPa	375.00	Thermochemistry of nitronaphthalenes and nitroanthracenes
Psub	9.28e-04	kPa	377.06	Thermochemistry of nitronaphthalenes and nitroanthracenes
Psub	9.28e-04	kPa	377.06	Thermochemistry of nitronaphthalenes and nitroanthracenes
Psub	9.24e-04	kPa	377.06	Thermochemistry of nitronaphthalenes and nitroanthracenes

Similar Compounds

Find more compounds similar to Anthracene, 9-nitro-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Thermochemistry of nitronaphthalenes and nitroanthracenes
• Joback Method
• McGowan Method
• NIST Webbook

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