Chemical Properties of Sarcosine, N-(2-fluorobenzoyl)-, isobutyl ester

InChI

InChI=1S/C14H18FNO3/c1-10(2)9-19-13(17)8-16(3)14(18)11-6-4-5-7-12(11)15/h4-7,10H,8-9H2,1-3H3

InChI Key

JNZGOBFCJDTKBT-UHFFFAOYSA-N

Formula

C14H18FNO3

SMILES

CC(C)COC(=O)CN(C)C(=O)c1ccccc1F

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°	-279.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-598.47	kJ/mol	Joback Calculated Property
ΔfusH°	32.63	kJ/mol	Joback Calculated Property
ΔvapH°	66.44	kJ/mol	Joback Calculated Property
log10WS	-2.66		Crippen Calculated Property
logPoct/wat	2.097		Crippen Calculated Property
McVol	205.120	ml/mol	McGowan Calculated Property
Pc	2111.94	kPa	Joback Calculated Property
Inp	[1914.00; 1914.00]
Inp	1914.00		NIST
Inp	1914.00		NIST
Tboil	692.81	K	Joback Calculated Property
Tc	893.63	K	Joback Calculated Property
Tfus	426.63	K	Joback Calculated Property
Vc	0.771	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[560.86; 634.83]	J/mol×K	[692.81; 893.63]
Cp,gas	560.86	J/mol×K	692.81	Joback Calculated Property
Cp,gas	575.40	J/mol×K	726.28	Joback Calculated Property
Cp,gas	589.02	J/mol×K	759.75	Joback Calculated Property
Cp,gas	601.74	J/mol×K	793.22	Joback Calculated Property
Cp,gas	613.60	J/mol×K	826.69	Joback Calculated Property
Cp,gas	624.62	J/mol×K	860.16	Joback Calculated Property
Cp,gas	634.83	J/mol×K	893.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(2-fluorobenzoyl)-, isobutyl ester.

Sources

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

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