Chemical Properties of 1-(p-(Dimethylamino)phenyl)-2-(2-furyl)ethanedione (CAS 28123-26-4)

InChI

InChI=1S/C14H13NO3/c1-15(2)11-7-5-10(6-8-11)13(16)14(17)12-4-3-9-18-12/h3-9H,1-2H3

InChI Key

PHALNKSJQMXERZ-UHFFFAOYSA-N

Formula

C14H13NO3

SMILES

CN(C)c1ccc(C(=O)C(=O)c2ccco2)cc1

Molecular Weight¹

243.26

CAS

28123-26-4

Other Names

• 1-[4-(Dimethylamino)phenyl]-2-(2-furyl)-1,2-ethanedione
• Furoyl, 4-dimethylaminobenzoyl

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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	0.6767		Relay (1.0) Calculated Property
ΔfG°	-33.26	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-192.67	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	88.42	kJ/mol	Relay (1.0) Calculated Property
IE	7.30	eV	Relay (1.0) Calculated Property
log10WS	-3.29		Relay (1.0) Calculated Property
logPoct/wat	2.411		Crippen Calculated Property
McVol	183.890	ml/mol	McGowan Calculated Property
Pc	2375.71	kPa	Relay (1.0-beta) Calculated Property
Inp	[2316.00; 2316.00]
Inp	2316.00		NIST
Inp	2316.00		NIST
Tboil	625.29	K	Relay (1.0) Calculated Property
Tc	878.90	K	Relay (1.0) Calculated Property
Tfus	419.16	K	Relay (1.0) Calculated Property
Vc	0.701	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1-(p-(Dimethylamino)phenyl)-2-(2-furyl)ethanedione.

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
• McGowan Method
• NIST Webbook

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