Chemical Properties of L-Valine, N-(2,6-difluorobenzoyl)-, heptyl ester

InChI

InChI=1S/C19H27F2NO3/c1-4-5-6-7-8-12-25-19(24)17(13(2)3)22-18(23)16-14(20)10-9-11-15(16)21/h9-11,13,17H,4-8,12H2,1-3H3,(H,22,23)

InChI Key

HBEBGDGXETWNHJ-UHFFFAOYSA-N

Formula

C19H27F2NO3

SMILES

CCCCCCCOC(=O)C(NC(=O)c1c(F)cccc1F)C(C)C

Molecular Weight¹

355.42

• 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°	-465.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-928.59	kJ/mol	Joback Calculated Property
ΔfusH°	46.83	kJ/mol	Joback Calculated Property
ΔvapH°	81.42	kJ/mol	Joback Calculated Property
log10WS	-5.82		Crippen Calculated Property
logPoct/wat	4.233		Crippen Calculated Property
McVol	277.340	ml/mol	McGowan Calculated Property
Pc	1378.88	kPa	Joback Calculated Property
Inp	[2373.00; 2373.00]
Inp	2373.00		NIST
Inp	2373.00		NIST
Tboil	848.75	K	Joback Calculated Property
Tc	1047.73	K	Joback Calculated Property
Tfus	501.28	K	Joback Calculated Property
Vc	1.081	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[863.95; 938.19]	J/mol×K	[848.75; 1047.73]
Cp,gas	863.95	J/mol×K	848.75	Joback Calculated Property
Cp,gas	878.86	J/mol×K	881.91	Joback Calculated Property
Cp,gas	892.72	J/mol×K	915.08	Joback Calculated Property
Cp,gas	905.55	J/mol×K	948.24	Joback Calculated Property
Cp,gas	917.38	J/mol×K	981.41	Joback Calculated Property
Cp,gas	928.25	J/mol×K	1014.57	Joback Calculated Property
Cp,gas	938.19	J/mol×K	1047.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(2,6-difluorobenzoyl)-, heptyl ester.

Sources

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

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