Chemical Properties of 3,9-dimethoxy-6H,12H-dibenzo[b,f][1,5]dioxocine-6,12-dione

InChI

InChI=1S/C16H12O6/c1-19-9-3-5-11-13(7-9)21-16(18)12-6-4-10(20-2)8-14(12)22-15(11)17/h3-8H,1-2H3

InChI Key

JGBUSYJENPDLOQ-UHFFFAOYSA-N

Formula

C16H12O6

SMILES

COc1ccc2c(c1)OC(=O)c1ccc(OC)cc1OC2=O

Molecular Weight¹

300.27

• 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).
• Δ_vapH° : Enthalpy of vaporization 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

Property	Value	Unit	Source
ΔfusH°	38.20	kJ/mol	Joback Calculated Property
ΔvapH°	108.05	kJ/mol	Relay (1.0) Calculated Property
IE	8.21	eV	Relay (1.0) Calculated Property
log10WS	-5.51		Relay (1.0) Calculated Property
logPoct/wat	2.456		Crippen Calculated Property
McVol	204.540	ml/mol	McGowan Calculated Property
Inp	[2511.00; 2511.00]
Inp	2511.00		NIST
Inp	2511.00		NIST
Tboil	692.12	K	Relay (1.0) Calculated Property
Tfus	447.52	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[293.04; 616.53]	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			3.87300e+01
Coefficient B			1.09824e+00
Coefficient C			-6.44440e-04
Coefficient D			1.24000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	293.04	J/mol×K	273.00	Calculated Property
Cp,gas	352.10	J/mol×K	353.78	Calculated Property
Cp,gas	404.46	J/mol×K	434.56	Calculated Property
Cp,gas	450.52	J/mol×K	515.33	Calculated Property
Cp,gas	490.67	J/mol×K	596.11	Calculated Property
Cp,gas	525.30	J/mol×K	676.89	Calculated Property
Cp,gas	554.82	J/mol×K	757.67	Calculated Property
Cp,gas	579.60	J/mol×K	838.44	Calculated Property
Cp,gas	600.04	J/mol×K	919.22	Calculated Property
Cp,gas	616.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008895; 0.0003806]	Pa×s	[534.86; 716.09]	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			-1.03793e+01
Coefficient B			1.79416e+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.			534.86
Temperature range, max.			716.09
η	0.0008895	Pa×s	534.86	Calculated Property
η	0.0007875	Pa×s	555.00	Calculated Property
η	0.0007033	Pa×s	575.13	Calculated Property
η	0.0006328	Pa×s	595.27	Calculated Property
η	0.0005734	Pa×s	615.40	Calculated Property
η	0.0005228	Pa×s	635.54	Calculated Property
η	0.0004794	Pa×s	655.68	Calculated Property
η	0.0004419	Pa×s	675.81	Calculated Property
η	0.0004092	Pa×s	695.95	Calculated Property
η	0.0003806	Pa×s	716.09	Calculated Property

Similar Compounds

Find more compounds similar to 3,9-dimethoxy-6H,12H-dibenzo[b,f][1,5]dioxocine-6,12-dione.

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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