Chemical Properties of Anthralin, O,O',O''-tri(acetyl)-

InChI

InChI=1S/C20H16O6/c1-11(21)24-16-8-4-6-14-10-15-7-5-9-17(25-12(2)22)19(15)20(18(14)16)26-13(3)23/h4-10H,1-3H3

InChI Key

IPWOSICBVUXMML-UHFFFAOYSA-N

Formula

C20H16O6

SMILES

CC(=O)Oc1cccc2cc3cccc(OC(C)=O)c3c(OC(C)=O)c12

Molecular Weight¹

352.34

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[349.72; 763.22]	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			2.13400e+01
Coefficient B			1.41516e+00
Coefficient C			-8.16880e-04
Coefficient D			1.43600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	349.72	J/mol×K	273.00	Calculated Property
Cp,gas	426.11	J/mol×K	353.78	Calculated Property
Cp,gas	493.83	J/mol×K	434.56	Calculated Property
Cp,gas	553.33	J/mol×K	515.33	Calculated Property
Cp,gas	605.07	J/mol×K	596.11	Calculated Property
Cp,gas	649.50	J/mol×K	676.89	Calculated Property
Cp,gas	687.08	J/mol×K	757.67	Calculated Property
Cp,gas	718.26	J/mol×K	838.44	Calculated Property
Cp,gas	743.48	J/mol×K	919.22	Calculated Property
Cp,gas	763.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005657; 0.0001675]	Pa×s	[584.05; 804.23]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.19224e+01
Coefficient B			2.59606e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			584.05
Temperature range, max.			804.23
η	0.0005657	Pa×s	584.05	Calculated Property
η	0.0004731	Pa×s	608.51	Calculated Property
η	0.0004012	Pa×s	632.98	Calculated Property
η	0.0003444	Pa×s	657.44	Calculated Property
η	0.0002989	Pa×s	681.91	Calculated Property
η	0.0002620	Pa×s	706.37	Calculated Property
η	0.0002317	Pa×s	730.84	Calculated Property
η	0.0002065	Pa×s	755.30	Calculated Property
η	0.0001854	Pa×s	779.76	Calculated Property
η	0.0001675	Pa×s	804.23	Calculated Property

Similar Compounds

Find more compounds similar to Anthralin, O,O',O''-tri(acetyl)-.

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
• Joback Method
• McGowan Method
• NIST Webbook

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