Chemical Properties of Sarcosine, N-(4-fluorobenzoyl)-, butyl ester

InChI

InChI=1S/C14H18FNO3/c1-3-4-9-19-13(17)10-16(2)14(18)11-5-7-12(15)8-6-11/h5-8H,3-4,9-10H2,1-2H3

InChI Key

SSAIPOVAJPHWLH-UHFFFAOYSA-N

Formula

C14H18FNO3

SMILES

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

Molecular Weight¹

267.30

• 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°	-277.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-593.19	kJ/mol	Joback Calculated Property
ΔfusH°	36.15	kJ/mol	Joback Calculated Property
ΔvapH°	66.82	kJ/mol	Joback Calculated Property
log10WS	-2.90		Crippen Calculated Property
logPoct/wat	2.241		Crippen Calculated Property
McVol	205.120	ml/mol	McGowan Calculated Property
Pc	2096.50	kPa	Joback Calculated Property
Inp	[1970.00; 1970.00]
Inp	1970.00		NIST
Inp	1970.00		NIST
Tboil	693.25	K	Joback Calculated Property
Tc	890.84	K	Joback Calculated Property
Tfus	441.63	K	Joback Calculated Property
Vc	0.777	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[560.34; 633.31]	J/mol×K	[693.25; 890.84]
Cp,gas	560.34	J/mol×K	693.25	Joback Calculated Property
Cp,gas	574.62	J/mol×K	726.18	Joback Calculated Property
Cp,gas	588.02	J/mol×K	759.11	Joback Calculated Property
Cp,gas	600.56	J/mol×K	792.05	Joback Calculated Property
Cp,gas	612.27	J/mol×K	824.98	Joback Calculated Property
Cp,gas	623.18	J/mol×K	857.91	Joback Calculated Property
Cp,gas	633.31	J/mol×K	890.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(4-fluorobenzoyl)-, butyl ester.

Sources

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

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