Chemical Properties of L-Valine, N-(4-fluorobenzoyl)-, nonyl ester

InChI

InChI=1S/C21H32FNO3/c1-4-5-6-7-8-9-10-15-26-21(25)19(16(2)3)23-20(24)17-11-13-18(22)14-12-17/h11-14,16,19H,4-10,15H2,1-3H3,(H,23,24)

InChI Key

YRAPHIZKDCHGMP-UHFFFAOYSA-N

Formula

C21H32FNO3

SMILES

CCCCCCCCCOC(=O)C(NC(=O)c1ccc(F)cc1)C(C)C

Molecular Weight¹

365.48

• 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°	-244.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-762.29	kJ/mol	Joback Calculated Property
ΔfusH°	49.32	kJ/mol	Joback Calculated Property
ΔvapH°	86.02	kJ/mol	Joback Calculated Property
log10WS	-6.32		Crippen Calculated Property
logPoct/wat	4.874		Crippen Calculated Property
McVol	303.750	ml/mol	McGowan Calculated Property
Pc	1253.03	kPa	Joback Calculated Property
Inp	[2541.00; 2541.00]
Inp	2541.00		NIST
Inp	2541.00		NIST
Tboil	890.26	K	Joback Calculated Property
Tc	1094.98	K	Joback Calculated Property
Tfus	510.71	K	Joback Calculated Property
Vc	1.175	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[975.90; 1054.28]	J/mol×K	[890.26; 1094.98]
Cp,gas	975.90	J/mol×K	890.26	Joback Calculated Property
Cp,gas	991.74	J/mol×K	924.38	Joback Calculated Property
Cp,gas	1006.42	J/mol×K	958.50	Joback Calculated Property
Cp,gas	1019.96	J/mol×K	992.62	Joback Calculated Property
Cp,gas	1032.43	J/mol×K	1026.74	Joback Calculated Property
Cp,gas	1043.85	J/mol×K	1060.86	Joback Calculated Property
Cp,gas	1054.28	J/mol×K	1094.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(4-fluorobenzoyl)-, nonyl ester.

Sources

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

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