Chemical Properties of Dibenzoyl, 4-dimethylamino

InChI

InChI=1S/C16H15NO2/c1-17(2)14-10-8-13(9-11-14)16(19)15(18)12-6-4-3-5-7-12/h3-11H,1-2H3

InChI Key

CRMRQULUOONHLY-UHFFFAOYSA-N

Formula

C16H15NO2

SMILES

CN(C)c1ccc(C(=O)C(=O)c2ccccc2)cc1

Molecular Weight¹

253.30

• 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	0.6722		Relay (1.0) Calculated Property
ΔfG°	151.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-58.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.11	kJ/mol	Joback Calculated Property
ΔvapH°	96.28	kJ/mol	Relay (1.0) Calculated Property
IE	7.45	eV	Relay (1.0) Calculated Property
log10WS	-3.77		Relay (1.0) Calculated Property
logPoct/wat	2.818		Crippen Calculated Property
McVol	201.900	ml/mol	McGowan Calculated Property
Pc	2543.05	kPa	Joback Calculated Property
Inp	[2460.00; 2460.00]
Inp	2460.00		NIST
Inp	2460.00		NIST
Tboil	637.20	K	Relay (1.0) Calculated Property
Tc	911.94	K	Relay (1.0) Calculated Property
Tfus	413.98	K	Relay (1.0) Calculated Property
Vc	0.744	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[250.30; 620.76]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-6.11400e+01
Coefficient B			1.37444e+00
Coefficient C			-9.17160e-04
Coefficient D			2.24620e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	250.30	J/mol×K	273.00	Calculated Property
Cp,gas	320.26	J/mol×K	353.78	Calculated Property
Cp,gas	381.37	J/mol×K	434.56	Calculated Property
Cp,gas	434.33	J/mol×K	515.33	Calculated Property
Cp,gas	479.85	J/mol×K	596.11	Calculated Property
Cp,gas	518.64	J/mol×K	676.89	Calculated Property
Cp,gas	551.42	J/mol×K	757.67	Calculated Property
Cp,gas	578.89	J/mol×K	838.44	Calculated Property
Cp,gas	601.77	J/mol×K	919.22	Calculated Property
Cp,gas	620.76	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Dibenzoyl, 4-dimethylamino.

Sources

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

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