Chemical Properties of Sarcosine, N-(4-trifluoromethylbenzoyl)-, ethyl ester

InChI

InChI=1S/C13H14F3NO3/c1-3-20-11(18)8-17(2)12(19)9-4-6-10(7-5-9)13(14,15)16/h4-7H,3,8H2,1-2H3

InChI Key

GTEZNVCNKBUBIE-UHFFFAOYSA-N

Formula

C13H14F3NO3

SMILES

CCOC(=O)CN(C)C(=O)c1ccc(C(F)(F)F)cc1

Molecular Weight¹

289.25

• 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	0.6602		Relay (1.0) Calculated Property
ΔfG°	-672.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-1118.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.31	kJ/mol	Joback Calculated Property
ΔvapH°	79.98	kJ/mol	Relay (1.0) Calculated Property
IE	9.27	eV	Relay (1.0) Calculated Property
log10WS	-3.02		Relay (1.0) Calculated Property
logPoct/wat	2.341		Crippen Calculated Property
McVol	194.570	ml/mol	McGowan Calculated Property
Pc	2145.33	kPa	Joback Calculated Property
Inp	[1717.00; 1717.00]
Inp	1717.00		NIST
Inp	1717.00		NIST
Tboil	572.67	K	Relay (1.0) Calculated Property
Tc	757.58	K	Relay (1.0) Calculated Property
Tfus	350.46	K	Relay (1.0) Calculated Property
Vc	0.716	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[526.95; 593.27]	J/mol×K	[665.68; 859.37]
Cp,gas	526.95	J/mol×K	665.68	Joback Calculated Property
Cp,gas	540.06	J/mol×K	697.96	Joback Calculated Property
Cp,gas	552.29	J/mol×K	730.24	Joback Calculated Property
Cp,gas	563.69	J/mol×K	762.52	Joback Calculated Property
Cp,gas	574.29	J/mol×K	794.80	Joback Calculated Property
Cp,gas	584.14	J/mol×K	827.09	Joback Calculated Property
Cp,gas	593.27	J/mol×K	859.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(4-trifluoromethylbenzoyl)-, ethyl ester.

Sources

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

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