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

InChI

InChI=1S/C15H18F3NO3/c1-3-4-5-8-22-12(20)9-19(2)15(21)10-6-7-11(16)14(18)13(10)17/h6-7H,3-5,8-9H2,1-2H3

InChI Key

FLDLLMWWRFPUAD-UHFFFAOYSA-N

Formula

C15H18F3NO3

SMILES

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

Molecular Weight¹

317.30

• 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°	-677.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-1028.99	kJ/mol	Joback Calculated Property
ΔfusH°	44.13	kJ/mol	Joback Calculated Property
ΔvapH°	68.74	kJ/mol	Joback Calculated Property
log10WS	-3.98		Crippen Calculated Property
logPoct/wat	2.909		Crippen Calculated Property
McVol	222.750	ml/mol	McGowan Calculated Property
Pc	1736.11	kPa	Joback Calculated Property
Inp	[1996.00; 1996.00]
Inp	1996.00		NIST
Inp	1996.00		NIST
Tboil	724.63	K	Joback Calculated Property
Tc	910.00	K	Joback Calculated Property
Tfus	479.12	K	Joback Calculated Property
Vc	0.870	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[628.00; 697.06]	J/mol×K	[724.63; 910.00]
Cp,gas	628.00	J/mol×K	724.63	Joback Calculated Property
Cp,gas	641.41	J/mol×K	755.52	Joback Calculated Property
Cp,gas	654.04	J/mol×K	786.42	Joback Calculated Property
Cp,gas	665.90	J/mol×K	817.31	Joback Calculated Property
Cp,gas	677.01	J/mol×K	848.21	Joback Calculated Property
Cp,gas	687.39	J/mol×K	879.10	Joback Calculated Property
Cp,gas	697.06	J/mol×K	910.00	Joback Calculated Property

Similar Compounds

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

Sources

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

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