Chemical Properties of 4,6-Diacetoxy-3-methoxyphenanthrene

InChI

InChI=1S/C19H16O5/c1-11(20)23-15-8-6-13-4-5-14-7-9-17(22-3)19(24-12(2)21)18(14)16(13)10-15/h4-10H,1-3H3

InChI Key

MYOPYNHXINLPTK-UHFFFAOYSA-N

Formula

C19H16O5

SMILES

COc1ccc2ccc3ccc(OC(C)=O)cc3c2c1OC(C)=O

Molecular Weight¹

324.33

• 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).
• 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
ΔfusH°	41.41	kJ/mol	Joback Calculated Property
IE	7.30	eV	Relay (1.0) Calculated Property
logPoct/wat	3.852		Crippen Calculated Property
McVol	236.640	ml/mol	McGowan Calculated Property
Inp	[2708.00; 2708.00]
Inp	2708.00		NIST
Inp	2708.00		NIST
Tboil	713.94	K	Relay (1.0) Calculated Property
Tfus	398.62	K	Relay (1.0) Calculated Property

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, Log10 of Water solubility in mol/l 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	[327.57; 722.02]	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			2.23400e+01
Coefficient B			1.31176e+00
Coefficient C			-7.46080e-04
Coefficient D			1.34000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	327.57	J/mol×K	273.00	Calculated Property
Cp,gas	398.97	J/mol×K	353.78	Calculated Property
Cp,gas	462.48	J/mol×K	434.56	Calculated Property
Cp,gas	518.54	J/mol×K	515.33	Calculated Property
Cp,gas	567.56	J/mol×K	596.11	Calculated Property
Cp,gas	609.98	J/mol×K	676.89	Calculated Property
Cp,gas	646.21	J/mol×K	757.67	Calculated Property
Cp,gas	676.67	J/mol×K	838.44	Calculated Property
Cp,gas	701.80	J/mol×K	919.22	Calculated Property
Cp,gas	722.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006220; 0.0002049]	Pa×s	[552.68; 761.94]	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			-1.14252e+01
Coefficient B			2.23427e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			552.68
Temperature range, max.			761.94
η	0.0006220	Pa×s	552.68	Calculated Property
η	0.0005283	Pa×s	575.93	Calculated Property
η	0.0004545	Pa×s	599.18	Calculated Property
η	0.0003954	Pa×s	622.43	Calculated Property
η	0.0003474	Pa×s	645.69	Calculated Property
η	0.0003081	Pa×s	668.94	Calculated Property
η	0.0002754	Pa×s	692.19	Calculated Property
η	0.0002479	Pa×s	715.44	Calculated Property
η	0.0002247	Pa×s	738.69	Calculated Property
η	0.0002049	Pa×s	761.94	Calculated Property

Similar Compounds

Find more compounds similar to 4,6-Diacetoxy-3-methoxyphenanthrene.

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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