Chemical Properties of Anthracene, 1-acetoxy-8,9-dihydroxy-

InChI

InChI=1S/C16H12O4/c1-9(17)20-13-7-3-5-11-8-10-4-2-6-12(18)14(10)16(19)15(11)13/h2-8,18-19H,1H3

InChI Key

MFLRKDLLDFHARW-UHFFFAOYSA-N

Formula

C16H12O4

SMILES

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

Molecular Weight¹

268.27

• 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	[260.86; 591.56]	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			-7.22800e+01
Coefficient B			1.57292e+00
Coefficient C			-1.43528e-03
Coefficient D			5.26200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	260.86	J/mol×K	273.00	Calculated Property
Cp,gas	327.85	J/mol×K	353.78	Calculated Property
Cp,gas	383.39	J/mol×K	434.56	Calculated Property
Cp,gas	429.15	J/mol×K	515.33	Calculated Property
Cp,gas	466.79	J/mol×K	596.11	Calculated Property
Cp,gas	497.99	J/mol×K	676.89	Calculated Property
Cp,gas	524.40	J/mol×K	757.67	Calculated Property
Cp,gas	547.69	J/mol×K	838.44	Calculated Property
Cp,gas	569.52	J/mol×K	919.22	Calculated Property
Cp,gas	591.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000113; 0.0000022]	Pa×s	[652.71; 780.91]	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			-2.14530e+01
Coefficient B			6.56806e+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.			652.71
Temperature range, max.			780.91
η	0.0000113	Pa×s	652.71	Calculated Property
η	0.0000091	Pa×s	666.95	Calculated Property
η	0.0000074	Pa×s	681.20	Calculated Property
η	0.0000061	Pa×s	695.44	Calculated Property
η	0.0000050	Pa×s	709.69	Calculated Property
η	0.0000042	Pa×s	723.93	Calculated Property
η	0.0000035	Pa×s	738.17	Calculated Property
η	0.0000030	Pa×s	752.42	Calculated Property
η	0.0000025	Pa×s	766.66	Calculated Property
η	0.0000022	Pa×s	780.91	Calculated Property

Similar Compounds

Find more compounds similar to Anthracene, 1-acetoxy-8,9-dihydroxy-.

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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