Chemical Properties of Ethanediamine, N-acetyl-N'-(4-chlorophenoxyacetyl)

InChI

InChI=1S/C12H15ClN2O3/c1-9(16)14-6-7-15-12(17)8-18-11-4-2-10(13)3-5-11/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17)

InChI Key

TWXOVAKWKRNSFO-UHFFFAOYSA-N

Formula

C12H15ClN2O3

SMILES

CC(=O)NCCNC(=O)COc1ccc(Cl)cc1

Molecular Weight¹

270.71

• 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°	-43.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-332.13	kJ/mol	Joback Calculated Property
ΔfusH°	39.27	kJ/mol	Joback Calculated Property
ΔvapH°	78.40	kJ/mol	Joback Calculated Property
log10WS	-2.30		Crippen Calculated Property
logPoct/wat	0.971		Crippen Calculated Property
McVol	197.390	ml/mol	McGowan Calculated Property
Pc	2613.74	kPa	Joback Calculated Property
Inp	[2280.00; 2280.00]
Inp	2280.00		NIST
Inp	2280.00		NIST
Tboil	773.55	K	Joback Calculated Property
Tc	989.88	K	Joback Calculated Property
Tfus	521.27	K	Joback Calculated Property
Vc	0.749	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[536.59; 593.50]	J/mol×K	[773.55; 989.88]
Cp,gas	536.59	J/mol×K	773.55	Joback Calculated Property
Cp,gas	548.23	J/mol×K	809.60	Joback Calculated Property
Cp,gas	558.98	J/mol×K	845.66	Joback Calculated Property
Cp,gas	568.86	J/mol×K	881.71	Joback Calculated Property
Cp,gas	577.89	J/mol×K	917.77	Joback Calculated Property
Cp,gas	586.09	J/mol×K	953.82	Joback Calculated Property
Cp,gas	593.50	J/mol×K	989.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethanediamine, N-acetyl-N'-(4-chlorophenoxyacetyl).

Sources

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

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