Chemical Properties of Indane-1,3-dione, 2-(3,4-dimethoxybenzylideno)- (CAS 58161-74-3)

InChI

InChI=1S/C18H14O4/c1-21-15-8-7-11(10-16(15)22-2)9-14-17(19)12-5-3-4-6-13(12)18(14)20/h3-10H,1-2H3

InChI Key

OVHSLRSKIAKFOH-UHFFFAOYSA-N

Formula

C18H14O4

SMILES

COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1OC

Molecular Weight¹

294.30

CAS

58161-74-3

Other Names

• 2-(3,4-Dimethoxybenzylidene)-1,3-indandione

• 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°	-44.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-346.87	kJ/mol	Joback Calculated Property
ΔfusH°	28.07	kJ/mol	Joback Calculated Property
ΔvapH°	76.52	kJ/mol	Joback Calculated Property
log10WS	-4.56		Crippen Calculated Property
logPoct/wat	3.166		Crippen Calculated Property
McVol	216.680	ml/mol	McGowan Calculated Property
Pc	2265.42	kPa	Joback Calculated Property
Inp	[2525.00; 2525.00]
Inp	2525.00		NIST
Inp	2525.00		NIST
Inp	2525.00		NIST
Tboil	878.07	K	Joback Calculated Property
Tc	1135.01	K	Joback Calculated Property
Tfus	596.46	K	Joback Calculated Property
Vc	0.819	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[641.80; 699.10]	J/mol×K	[878.07; 1135.01]
Cp,gas	641.80	J/mol×K	878.07	Joback Calculated Property
Cp,gas	655.32	J/mol×K	920.89	Joback Calculated Property
Cp,gas	667.26	J/mol×K	963.72	Joback Calculated Property
Cp,gas	677.63	J/mol×K	1006.54	Joback Calculated Property
Cp,gas	686.40	J/mol×K	1049.36	Joback Calculated Property
Cp,gas	693.56	J/mol×K	1092.18	Joback Calculated Property
Cp,gas	699.10	J/mol×K	1135.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to Indane-1,3-dione, 2-(3,4-dimethoxybenzylideno)-.

Sources

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

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