Chemical Properties of 2-(N-Ethyl-N-toluidino)ethanol, acetate

InChI

InChI=1S/C13H19NO2/c1-4-14(8-9-16-12(3)15)13-7-5-6-11(2)10-13/h5-7,10H,4,8-9H2,1-3H3

InChI Key

KMLMCHZWMDCYPI-UHFFFAOYSA-N

Formula

C13H19NO2

SMILES

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

Molecular Weight¹

221.30

• 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	0.6310		Relay (1.0) Calculated Property
ΔfG°	38.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-366.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.89	kJ/mol	Joback Calculated Property
ΔvapH°	82.09	kJ/mol	Relay (1.0) Calculated Property
IE	7.41	eV	Relay (1.0) Calculated Property
log10WS	-2.91		Relay (1.0) Calculated Property
logPoct/wat	2.384		Crippen Calculated Property
McVol	187.690	ml/mol	McGowan Calculated Property
Pc	2254.67	kPa	Joback Calculated Property
Inp	[1671.40; 1671.40]
Inp	1671.40		NIST
Inp	1671.40		NIST
Tboil	574.98	K	Relay (1.0) Calculated Property
Tc	766.67	K	Relay (1.0) Calculated Property
Tfus	286.96	K	Relay (1.0) Calculated Property
Vc	0.678	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[480.53; 563.27]	J/mol×K	[617.23; 818.49]
Cp,gas	480.53	J/mol×K	617.23	Joback Calculated Property
Cp,gas	496.49	J/mol×K	650.77	Joback Calculated Property
Cp,gas	511.54	J/mol×K	684.32	Joback Calculated Property
Cp,gas	525.72	J/mol×K	717.86	Joback Calculated Property
Cp,gas	539.05	J/mol×K	751.40	Joback Calculated Property
Cp,gas	551.56	J/mol×K	784.95	Joback Calculated Property
Cp,gas	563.27	J/mol×K	818.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-(N-Ethyl-N-toluidino)ethanol, acetate.

Sources

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

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