Chemical Properties of 9,10-Anthracenedione, 2-(1,1-dimethylethyl)- (CAS 84-47-9)

InChI

InChI=1S/C18H16O2/c1-18(2,3)11-8-9-14-15(10-11)17(20)13-7-5-4-6-12(13)16(14)19/h4-10H,1-3H3

InChI Key

YTPSFXZMJKMUJE-UHFFFAOYSA-N

Formula

C18H16O2

SMILES

CC(C)(C)c1ccc2c(c1)C(=O)c1ccccc1C2=O

Molecular Weight¹

264.32

CAS

84-47-9

Other Names

• 2-(tert-butyl)anthracene-9,10-dione
• 2-tert-Butyl-9,10-anthraquinone
• 2-tert-butylanthraquinone
• Anthraquinone, 2-tert-butyl
• Anthraquinone, 2-tert-butyl-
• «beta»-tert-Butylanthraquinone

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• EA : Electron affinity (eV).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[270.93; 672.82]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.10600e+01
Coefficient B			1.35376e+00
Coefficient C			-8.22480e-04
Coefficient D			1.82600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	270.93	J/mol×K	273.00	Calculated Property
Cp,gas	343.01	J/mol×K	353.78	Calculated Property
Cp,gas	406.89	J/mol×K	434.56	Calculated Property
Cp,gas	463.14	J/mol×K	515.33	Calculated Property
Cp,gas	512.34	J/mol×K	596.11	Calculated Property
Cp,gas	555.07	J/mol×K	676.89	Calculated Property
Cp,gas	591.91	J/mol×K	757.67	Calculated Property
Cp,gas	623.43	J/mol×K	838.44	Calculated Property
Cp,gas	650.20	J/mol×K	919.22	Calculated Property
Cp,gas	672.82	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 9,10-Anthracenedione, 2-(1,1-dimethylethyl)-.

Mixtures

• 9,10-Anthracenedione, 2-(1,1-dimethylethyl)- + Mesitylene

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solubility of 2-Ethylanthraquinone in Binary Mixtures of Oligooxymethylene Dimethyl Ethers with Different Number of CH2O Groups of n = 2, 3, and 4 from 293.15 to 343.15 K
• Joback Method
• McGowan Method
• NIST Webbook

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