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_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	39.27	kJ/mol	Joback Calculated Property
IE	8.52	eV	Relay (1.0) Calculated Property
log10WS	-2.24		Relay (1.0) Calculated Property
logPoct/wat	0.971		Crippen Calculated Property
McVol	197.390	ml/mol	McGowan Calculated Property
Inp	[2280.00; 2280.00]
Inp	2280.00		NIST
Inp	2280.00		NIST
Tboil	617.21	K	Relay (1.0) Calculated Property
Tfus	367.07	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[268.37; 595.44]	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			2.30630e+01
Coefficient B			1.04542e+00
Coefficient C			-5.62360e-04
Coefficient D			8.93200e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	268.37	J/mol×K	273.00	Calculated Property
Cp,gas	326.48	J/mol×K	353.78	Calculated Property
Cp,gas	378.49	J/mol×K	434.56	Calculated Property
Cp,gas	424.68	J/mol×K	515.33	Calculated Property
Cp,gas	465.34	J/mol×K	596.11	Calculated Property
Cp,gas	500.74	J/mol×K	676.89	Calculated Property
Cp,gas	531.16	J/mol×K	757.67	Calculated Property
Cp,gas	556.90	J/mol×K	838.44	Calculated Property
Cp,gas	578.24	J/mol×K	919.22	Calculated Property
Cp,gas	595.44	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

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
• 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.
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