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

InChI

InChI=1S/C18H25F2NO3/c1-3-4-5-6-7-8-12-24-16(22)13-21(2)18(23)17-14(19)10-9-11-15(17)20/h9-11H,3-8,12-13H2,1-2H3

InChI Key

WQEWYHWFFHRMOP-UHFFFAOYSA-N

Formula

C18H25F2NO3

SMILES

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

Molecular Weight¹

341.39

• 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°	-447.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-883.33	kJ/mol	Joback Calculated Property
ΔfusH°	49.21	kJ/mol	Joback Calculated Property
ΔvapH°	75.57	kJ/mol	Joback Calculated Property
log10WS	-4.91		Crippen Calculated Property
logPoct/wat	3.940		Crippen Calculated Property
McVol	263.250	ml/mol	McGowan Calculated Property
Pc	1447.94	kPa	Joback Calculated Property
Inp	[2416.00; 2416.00]
Inp	2416.00		NIST
Inp	2416.00		NIST
Tboil	789.02	K	Joback Calculated Property
Tc	978.87	K	Joback Calculated Property
Tfus	499.82	K	Joback Calculated Property
Vc	1.020	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[788.35; 865.38]	J/mol×K	[789.02; 978.87]
Cp,gas	788.35	J/mol×K	789.02	Joback Calculated Property
Cp,gas	803.44	J/mol×K	820.66	Joback Calculated Property
Cp,gas	817.59	J/mol×K	852.30	Joback Calculated Property
Cp,gas	830.83	J/mol×K	883.94	Joback Calculated Property
Cp,gas	843.18	J/mol×K	915.59	Joback Calculated Property
Cp,gas	854.69	J/mol×K	947.23	Joback Calculated Property
Cp,gas	865.38	J/mol×K	978.87	Joback Calculated Property

Similar Compounds

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

Sources

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

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