Chemical Properties of 6H,12H-Dibenzo[b,f][1,5]dioxocin-6,12-dione (CAS 486-58-8)

InChI

InChI=1S/C14H8O4/c15-13-9-5-1-3-7-11(9)17-14(16)10-6-2-4-8-12(10)18-13/h1-8H

InChI Key

MLSVGAXOQBMEGH-UHFFFAOYSA-N

Formula

C14H8O4

SMILES

O=C1Oc2ccccc2C(=O)Oc2ccccc21

Molecular Weight¹

240.21

CAS

486-58-8

Other Names

• Benzoic acid, 2-hydroxy-, bimol. cyclic ester
• Disalicylide
• Salicylic acid, bimol. cyclic ester
• 6H,12H-Dibenzo[b,f][1,5]dioxocine-6,12-dione

• 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°	-88.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-334.59	kJ/mol	Joback Calculated Property
ΔfusH°	29.26	kJ/mol	Joback Calculated Property
ΔvapH°	70.54	kJ/mol	Joback Calculated Property
log10WS	-3.89		Crippen Calculated Property
logPoct/wat	2.438		Crippen Calculated Property
McVol	164.620	ml/mol	McGowan Calculated Property
Pc	3501.28	kPa	Joback Calculated Property
Inp	[2034.00; 2034.00]
Inp	2034.00		NIST
Inp	2034.00		NIST
Tboil	788.26	K	Joback Calculated Property
Tc	1070.21	K	Joback Calculated Property
Tfus	533.66	K	Joback Calculated Property
Vc	0.610	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[462.03; 519.84]	J/mol×K	[788.26; 1070.21]
Cp,gas	462.03	J/mol×K	788.26	Joback Calculated Property
Cp,gas	475.53	J/mol×K	835.25	Joback Calculated Property
Cp,gas	487.48	J/mol×K	882.24	Joback Calculated Property
Cp,gas	497.88	J/mol×K	929.23	Joback Calculated Property
Cp,gas	506.74	J/mol×K	976.23	Joback Calculated Property
Cp,gas	514.05	J/mol×K	1023.22	Joback Calculated Property
Cp,gas	519.84	J/mol×K	1070.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6H,12H-Dibenzo[b,f][1,5]dioxocin-6,12-dione.

Sources

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

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