Chemical Properties of Acetoxyacetamide, N-ethyl-N-(3-methylphenyl)-

InChI

InChI=1S/C13H17NO3/c1-4-14(13(16)9-17-11(3)15)12-7-5-6-10(2)8-12/h5-8H,4,9H2,1-3H3

InChI Key

DUCYWABKWIKBRX-UHFFFAOYSA-N

Formula

C13H17NO3

SMILES

CCN(C(=O)COC(C)=O)c1cccc(C)c1

Molecular Weight¹

235.28

• 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	0.6684		Relay (1.0) Calculated Property
ΔfG°	-90.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-501.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.48	kJ/mol	Joback Calculated Property
ΔvapH°	88.78	kJ/mol	Relay (1.0) Calculated Property
IE	8.12	eV	Relay (1.0) Calculated Property
log10WS	-2.52		Relay (1.0) Calculated Property
logPoct/wat	1.911		Crippen Calculated Property
McVol	189.260	ml/mol	McGowan Calculated Property
Pc	2395.87	kPa	Joback Calculated Property
Inp	[1720.00; 1720.00]
Inp	1720.00		NIST
Inp	1720.00		NIST
Tboil	591.68	K	Relay (1.0) Calculated Property
Tc	790.46	K	Relay (1.0) Calculated Property
Tfus	345.35	K	Relay (1.0) Calculated Property
Vc	0.689	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[499.97; 573.58]	J/mol×K	[671.10; 879.20]
Cp,gas	499.97	J/mol×K	671.10	Joback Calculated Property
Cp,gas	514.45	J/mol×K	705.78	Joback Calculated Property
Cp,gas	528.00	J/mol×K	740.47	Joback Calculated Property
Cp,gas	540.67	J/mol×K	775.15	Joback Calculated Property
Cp,gas	552.47	J/mol×K	809.83	Joback Calculated Property
Cp,gas	563.43	J/mol×K	844.52	Joback Calculated Property
Cp,gas	573.58	J/mol×K	879.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetoxyacetamide, N-ethyl-N-(3-methylphenyl)-.

Sources

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

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