Chemical Properties of 2-hydroxy-2',6'-diethyl-N-acetanilide

InChI

InChI=1S/C12H17NO2/c1-3-9-6-5-7-10(4-2)12(9)13-11(15)8-14/h5-7,14H,3-4,8H2,1-2H3,(H,13,15)

InChI Key

JQQZSHMUVAYCDW-UHFFFAOYSA-N

Formula

C12H17NO2

SMILES

CCc1cccc(CC)c1NC(=O)CO

Molecular Weight¹

207.27

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.8353		Relay (1.0) Calculated Property
ΔfusH°	30.89	kJ/mol	Joback Calculated Property
ΔvapH°	95.20	kJ/mol	Relay (1.0) Calculated Property
IE	8.31	eV	Relay (1.0) Calculated Property
log10WS	-1.87		Relay (1.0) Calculated Property
logPoct/wat	1.742		Crippen Calculated Property
McVol	173.600	ml/mol	McGowan Calculated Property
Pc	2767.17	kPa	Joback Calculated Property
Inp	[306.40; 1889.00]
Inp	1889.00		NIST
Inp	1831.00		NIST
Inp	306.40		NIST
Inp	1889.00		NIST
Inp	306.40		NIST
Tboil	577.28	K	Relay (1.0) Calculated Property
Tc	840.82	K	Relay (1.0) Calculated Property
Tfus	370.56	K	Relay (1.0) Calculated Property
Vc	0.607	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[473.79; 536.15]	J/mol×K	[707.02; 904.96]
Cp,gas	473.79	J/mol×K	707.02	Joback Calculated Property
Cp,gas	485.86	J/mol×K	740.01	Joback Calculated Property
Cp,gas	497.22	J/mol×K	773.00	Joback Calculated Property
Cp,gas	507.91	J/mol×K	805.99	Joback Calculated Property
Cp,gas	517.94	J/mol×K	838.98	Joback Calculated Property
Cp,gas	527.35	J/mol×K	871.97	Joback Calculated Property
Cp,gas	536.15	J/mol×K	904.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-hydroxy-2',6'-diethyl-N-acetanilide.

Sources

• Cheméo Relay (1.0)
• 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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