Chemical Properties of Sarcosine, N-(2,6-difluorobenzoyl)-, ethyl ester

InChI

InChI=1S/C12H13F2NO3/c1-3-18-10(16)7-15(2)12(17)11-8(13)5-4-6-9(11)14/h4-6H,3,7H2,1-2H3

InChI Key

ZDPVKSYNOMDJIL-UHFFFAOYSA-N

Formula

C12H13F2NO3

SMILES

CCOC(=O)CN(C)C(=O)c1c(F)cccc1F

Molecular Weight¹

257.23

• 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°	-498.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-759.49	kJ/mol	Joback Calculated Property
ΔfusH°	33.67	kJ/mol	Joback Calculated Property
ΔvapH°	62.22	kJ/mol	Joback Calculated Property
log10WS	-2.40		Crippen Calculated Property
logPoct/wat	1.600		Crippen Calculated Property
McVol	178.710	ml/mol	McGowan Calculated Property
Pc	2374.90	kPa	Joback Calculated Property
Inp	[1796.00; 1796.00]
Inp	1796.00		NIST
Inp	1796.00		NIST
Tboil	651.74	K	Joback Calculated Property
Tc	846.77	K	Joback Calculated Property
Tfus	432.20	K	Joback Calculated Property
Vc	0.683	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[464.11; 528.66]	J/mol×K	[651.74; 846.77]
Cp,gas	464.11	J/mol×K	651.74	Joback Calculated Property
Cp,gas	476.68	J/mol×K	684.25	Joback Calculated Property
Cp,gas	488.50	J/mol×K	716.75	Joback Calculated Property
Cp,gas	499.59	J/mol×K	749.26	Joback Calculated Property
Cp,gas	509.97	J/mol×K	781.76	Joback Calculated Property
Cp,gas	519.65	J/mol×K	814.27	Joback Calculated Property
Cp,gas	528.66	J/mol×K	846.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(2,6-difluorobenzoyl)-, ethyl ester.

Sources

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

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