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

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	0.7527		Relay (1.0) Calculated Property
ΔfG°	-44.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-287.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.07	kJ/mol	Joback Calculated Property
ΔvapH°	100.68	kJ/mol	Relay (1.0) Calculated Property
IE	8.15	eV	Relay (1.0) Calculated Property
log10WS	-4.47		Relay (1.0) 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	687.78	K	Relay (1.0) Calculated Property
Tc	973.37	K	Relay (1.0) Calculated Property
Tfus	444.80	K	Relay (1.0) Calculated Property
Vc	0.785	m3/kmol	Relay (1.0) 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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.