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

300.26

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-300.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-663.25	kJ/mol	Joback Calculated Property
ΔfusH°	36.04	kJ/mol	Joback Calculated Property
ΔvapH°	81.14	kJ/mol	Joback Calculated Property
log10WS	-4.13		Crippen Calculated Property
logPoct/wat	2.456		Crippen Calculated Property
McVol	204.540	ml/mol	McGowan Calculated Property
Pc	2640.67	kPa	Joback Calculated Property
Inp	[2511.00; 2511.00]
Inp	2511.00		NIST
Inp	2511.00		NIST
Tboil	888.82	K	Joback Calculated Property
Tc	1149.83	K	Joback Calculated Property
Tfus	625.70	K	Joback Calculated Property
Vc	0.757	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[617.74; 661.10]	J/mol×K	[888.82; 1149.83]
Cp,gas	617.74	J/mol×K	888.82	Joback Calculated Property
Cp,gas	629.73	J/mol×K	932.32	Joback Calculated Property
Cp,gas	639.89	J/mol×K	975.82	Joback Calculated Property
Cp,gas	648.17	J/mol×K	1019.33	Joback Calculated Property
Cp,gas	654.51	J/mol×K	1062.83	Joback Calculated Property
Cp,gas	658.84	J/mol×K	1106.33	Joback Calculated Property
Cp,gas	661.10	J/mol×K	1149.83	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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