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

InChI

InChI=1S/C17H24FNO3/c1-3-4-5-6-7-11-22-16(20)13-19(2)17(21)14-9-8-10-15(18)12-14/h8-10,12H,3-7,11,13H2,1-2H3

InChI Key

JKOKYOLPIVEYCH-UHFFFAOYSA-N

Formula

C17H24FNO3

SMILES

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

Molecular Weight¹

309.38

• 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°	-251.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-655.11	kJ/mol	Joback Calculated Property
ΔfusH°	43.92	kJ/mol	Joback Calculated Property
ΔvapH°	73.50	kJ/mol	Joback Calculated Property
log10WS	-4.16		Crippen Calculated Property
logPoct/wat	3.411		Crippen Calculated Property
McVol	247.390	ml/mol	McGowan Calculated Property
Pc	1636.45	kPa	Joback Calculated Property
Inp	[2258.00; 2258.00]
Inp	2258.00		NIST
Inp	2258.00		NIST
Tboil	761.89	K	Joback Calculated Property
Tc	955.63	K	Joback Calculated Property
Tfus	475.44	K	Joback Calculated Property
Vc	0.946	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[724.57; 802.82]	J/mol×K	[761.89; 955.63]
Cp,gas	724.57	J/mol×K	761.89	Joback Calculated Property
Cp,gas	739.90	J/mol×K	794.18	Joback Calculated Property
Cp,gas	754.28	J/mol×K	826.47	Joback Calculated Property
Cp,gas	767.72	J/mol×K	858.76	Joback Calculated Property
Cp,gas	780.27	J/mol×K	891.05	Joback Calculated Property
Cp,gas	791.96	J/mol×K	923.34	Joback Calculated Property
Cp,gas	802.82	J/mol×K	955.63	Joback Calculated Property

Similar Compounds

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

Sources

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

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