Chemical Properties of Ethanediamide, N,N'-bis(phenylmethyl)- (CAS 3551-78-8)

InChI

InChI=1S/C16H16N2O2/c19-15(17-11-13-7-3-1-4-8-13)16(20)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19)(H,18,20)

InChI Key

AOIKOYRULAZZLJ-UHFFFAOYSA-N

Formula

C16H16N2O2

SMILES

O=C(NCc1ccccc1)C(=O)NCc1ccccc1

Molecular Weight¹

268.31

CAS

3551-78-8

Other Names

• N,N'-Dibenzyloxamide

• 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°	229.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-18.73	kJ/mol	Joback Calculated Property
ΔfusH°	38.67	kJ/mol	Joback Calculated Property
ΔvapH°	82.13	kJ/mol	Joback Calculated Property
log10WS	-3.65		Crippen Calculated Property
logPoct/wat	1.619		Crippen Calculated Property
McVol	211.880	ml/mol	McGowan Calculated Property
Pc	2657.03	kPa	Joback Calculated Property
Inp	[2467.10; 2467.10]
Inp	2467.10		NIST
Inp	2467.10		NIST
Tboil	826.92	K	Joback Calculated Property
Tc	1064.02	K	Joback Calculated Property
Tfus	528.10	K	Joback Calculated Property
Vc	0.797	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[611.47; 672.86]	J/mol×K	[826.92; 1064.02]
Cp,gas	611.47	J/mol×K	826.92	Joback Calculated Property
Cp,gas	624.25	J/mol×K	866.44	Joback Calculated Property
Cp,gas	635.89	J/mol×K	905.95	Joback Calculated Property
Cp,gas	646.49	J/mol×K	945.47	Joback Calculated Property
Cp,gas	656.13	J/mol×K	984.99	Joback Calculated Property
Cp,gas	664.89	J/mol×K	1024.50	Joback Calculated Property
Cp,gas	672.86	J/mol×K	1064.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethanediamide, N,N'-bis(phenylmethyl)-.

Sources

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

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