Chemical Properties of Sarcosine, N-(3-fluorobenzoyl)-, pentyl ester

InChI

InChI=1S/C15H20FNO3/c1-3-4-5-9-20-14(18)11-17(2)15(19)12-7-6-8-13(16)10-12/h6-8,10H,3-5,9,11H2,1-2H3

InChI Key

MZFQJMQKRBRTEM-UHFFFAOYSA-N

Formula

C15H20FNO3

SMILES

CCCCCOC(=O)CN(C)C(=O)c1cccc(F)c1

Molecular Weight¹

281.32

• 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°	-268.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-613.83	kJ/mol	Joback Calculated Property
ΔfusH°	38.74	kJ/mol	Joback Calculated Property
ΔvapH°	69.05	kJ/mol	Joback Calculated Property
log10WS	-3.32		Crippen Calculated Property
logPoct/wat	2.631		Crippen Calculated Property
McVol	219.210	ml/mol	McGowan Calculated Property
Pc	1923.67	kPa	Joback Calculated Property
Inp	[2059.00; 2059.00]
Inp	2059.00		NIST
Inp	2059.00		NIST
Tboil	716.13	K	Joback Calculated Property
Tc	911.96	K	Joback Calculated Property
Tfus	452.90	K	Joback Calculated Property
Vc	0.834	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[613.95; 688.92]	J/mol×K	[716.13; 911.96]
Cp,gas	613.95	J/mol×K	716.13	Joback Calculated Property
Cp,gas	628.62	J/mol×K	748.77	Joback Calculated Property
Cp,gas	642.38	J/mol×K	781.41	Joback Calculated Property
Cp,gas	655.27	J/mol×K	814.05	Joback Calculated Property
Cp,gas	667.30	J/mol×K	846.68	Joback Calculated Property
Cp,gas	678.50	J/mol×K	879.32	Joback Calculated Property
Cp,gas	688.92	J/mol×K	911.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(3-fluorobenzoyl)-, pentyl ester.

Sources

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

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