Chemical Properties of Sarcosine, N-(2,3,4-trifluorobenzoyl)-, ethyl ester

InChI

InChI=1S/C12H12F3NO3/c1-3-19-9(17)6-16(2)12(18)7-4-5-8(13)11(15)10(7)14/h4-5H,3,6H2,1-2H3

InChI Key

VDKBQURKVHPTNG-UHFFFAOYSA-N

Formula

C12H12F3NO3

SMILES

CCOC(=O)CN(C)C(=O)c1ccc(F)c(F)c1F

Molecular Weight¹

275.22

• 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).
• 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
ΔfG°	-702.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-967.07	kJ/mol	Joback Calculated Property
ΔfusH°	36.36	kJ/mol	Joback Calculated Property
ΔvapH°	62.06	kJ/mol	Joback Calculated Property
log10WS	-2.73		Crippen Calculated Property
logPoct/wat	1.739		Crippen Calculated Property
McVol	180.480	ml/mol	McGowan Calculated Property
Pc	2241.88	kPa	Joback Calculated Property
Inp	[1708.00; 1708.00]
Inp	1708.00		NIST
Inp	1708.00		NIST
Tboil	655.99	K	Joback Calculated Property
Tc	844.43	K	Joback Calculated Property
Tfus	445.31	K	Joback Calculated Property
Vc	0.702	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[471.24; 532.63]	J/mol×K	[655.99; 844.43]
Cp,gas	471.24	J/mol×K	655.99	Joback Calculated Property
Cp,gas	483.12	J/mol×K	687.40	Joback Calculated Property
Cp,gas	494.32	J/mol×K	718.80	Joback Calculated Property
Cp,gas	504.86	J/mol×K	750.21	Joback Calculated Property
Cp,gas	514.75	J/mol×K	781.61	Joback Calculated Property
Cp,gas	524.00	J/mol×K	813.02	Joback Calculated Property
Cp,gas	532.63	J/mol×K	844.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(2,3,4-trifluorobenzoyl)-, ethyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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