Chemical Properties of L-Valine, N-(3,4-difluorobenzoyl)-, decyl ester

InChI

InChI=1S/C22H33F2NO3/c1-4-5-6-7-8-9-10-11-14-28-22(27)20(16(2)3)25-21(26)17-12-13-18(23)19(24)15-17/h12-13,15-16,20H,4-11,14H2,1-3H3,(H,25,26)

InChI Key

NFJFIQRLAHWMGS-UHFFFAOYSA-N

Formula

C22H33F2NO3

SMILES

CCCCCCCCCCOC(=O)C(NC(=O)c1ccc(F)c(F)c1)C(C)C

Molecular Weight¹

397.50

• 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°	-440.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-990.51	kJ/mol	Joback Calculated Property
ΔfusH°	54.60	kJ/mol	Joback Calculated Property
ΔvapH°	88.09	kJ/mol	Joback Calculated Property
log10WS	-7.07		Crippen Calculated Property
logPoct/wat	5.403		Crippen Calculated Property
McVol	319.610	ml/mol	McGowan Calculated Property
Pc	1125.32	kPa	Joback Calculated Property
Inp	[2613.00; 2613.00]
Inp	2613.00		NIST
Inp	2613.00		NIST
Tboil	917.39	K	Joback Calculated Property
Tc	1124.02	K	Joback Calculated Property
Tfus	535.09	K	Joback Calculated Property
Vc	1.248	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1042.59; 1119.79]	J/mol×K	[917.39; 1124.02]
Cp,gas	1042.59	J/mol×K	917.39	Joback Calculated Property
Cp,gas	1058.35	J/mol×K	951.83	Joback Calculated Property
Cp,gas	1072.90	J/mol×K	986.27	Joback Calculated Property
Cp,gas	1086.27	J/mol×K	1020.71	Joback Calculated Property
Cp,gas	1098.52	J/mol×K	1055.15	Joback Calculated Property
Cp,gas	1109.67	J/mol×K	1089.58	Joback Calculated Property
Cp,gas	1119.79	J/mol×K	1124.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(3,4-difluorobenzoyl)-, decyl ester.

Sources

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

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