Chemical Properties of 9,10-Anthracenedione, 1-amino- (CAS 82-45-1)

InChI

InChI=1S/C14H9NO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H,15H2

InChI Key

KHUFHLFHOQVFGB-UHFFFAOYSA-N

Formula

C14H9NO2

SMILES

Nc1cccc2c1C(=O)c1ccccc1C2=O

Molecular Weight¹

223.23

CAS

82-45-1

Other Names

• 1-Amino-9,10-anthraquinone
• 1-Aminoanthrachinon
• 1-amino-9,10-anthracenedione
• 1-aminoanthraquinone
• 9,10-Dioxo-9,10-dihydro-1-anthraceneamine
• C.I. 37275
• Diazo Fast Red AL
• NSC 30415
• NSC 458
• Smoke Orange G
• anthraquinone, 1-amino-
• «alpha»-Aminoanthraquinone
• «alpha»-Anthraquinonylamine

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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 a given temperature (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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-85.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.31	kJ/mol	Joback Calculated Property
IE	8.01	eV	Relay (1.0) Calculated Property
log10WS	-3.99		Relay (1.0) Calculated Property
logPoct/wat	2.044		Crippen Calculated Property
McVol	162.860	ml/mol	McGowan Calculated Property
Inp	[380.00; 386.00]
Inp	380.00		NIST
Inp	383.68		NIST
Inp	384.41		NIST
Inp	386.00		NIST
Tboil	668.61	K	Relay (1.0) Calculated Property
Tfus	481.41	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[455.33; 513.96]	J/mol×K	[803.33; 1081.85]
Cp,gas	455.33	J/mol×K	803.33	Joback Calculated Property
Cp,gas	468.05	J/mol×K	849.75	Joback Calculated Property
Cp,gas	479.54	J/mol×K	896.17	Joback Calculated Property
Cp,gas	489.82	J/mol×K	942.59	Joback Calculated Property
Cp,gas	498.96	J/mol×K	989.01	Joback Calculated Property
Cp,gas	506.99	J/mol×K	1035.43	Joback Calculated Property
Cp,gas	513.96	J/mol×K	1081.85	Joback Calculated Property
ΔfusH	[28.78; 28.78]	kJ/mol	[524.20; 524.20]
ΔfusH	28.78	kJ/mol	524.20	NIST
ΔfusH	28.78	kJ/mol	524.20	NIST
ΔsubH	[103.30; 126.50]	kJ/mol	[380.50; 513.00]
ΔsubH	116.30 ± 3.90	kJ/mol	380.50	NIST
ΔsubH	126.50	kJ/mol	428.00	NIST
ΔsubH	113.00 ± 0.40	kJ/mol	463.00	NIST
ΔsubH	103.30	kJ/mol	513.00	NIST

Similar Compounds

Find more compounds similar to 9,10-Anthracenedione, 1-amino-.

Mixtures

• Carbon dioxide + 9,10-Anthracenedione, 1-amino-

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Solubility of 1-aminoanthraquinone and 1-nitroanthraquinone in supercritical carbon dioxide
• Joback 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.