Chemical Properties of L-Valine, N-(3-fluorobenzoyl)-, hexadecyl ester

InChI

InChI=1S/C28H46FNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-33-28(32)26(23(2)3)30-27(31)24-19-18-20-25(29)22-24/h18-20,22-23,26H,4-17,21H2,1-3H3,(H,30,31)

InChI Key

COZXTPCIOBMDSV-UHFFFAOYSA-N

Formula

C28H46FNO3

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1cccc(F)c1)C(C)C

Molecular Weight¹

463.67

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	1.1920		Relay (1.0) Calculated Property
ΔfG°	-185.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-1035.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	67.45	kJ/mol	Joback Calculated Property
ΔvapH°	133.74	kJ/mol	Relay (1.0) Calculated Property
IE	9.08	eV	Relay (1.0) Calculated Property
log10WS	-7.90		Relay (1.0) Calculated Property
logPoct/wat	7.605		Crippen Calculated Property
McVol	402.380	ml/mol	McGowan Calculated Property
Pc	817.73	kPa	Joback Calculated Property
Inp	[3252.00; 3252.00]
Inp	3252.00		NIST
Inp	3252.00		NIST
Tboil	680.63	K	Relay (1.0) Calculated Property
Tc	913.55	K	Relay (1.0) Calculated Property
Tfus	358.80	K	Relay (1.0) Calculated Property
Vc	1.475	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1409.01; 1494.48]	J/mol×K	[1050.42; 1293.97]
Cp,gas	1409.01	J/mol×K	1050.42	Joback Calculated Property
Cp,gas	1427.18	J/mol×K	1091.01	Joback Calculated Property
Cp,gas	1443.64	J/mol×K	1131.60	Joback Calculated Property
Cp,gas	1458.50	J/mol×K	1172.20	Joback Calculated Property
Cp,gas	1471.85	J/mol×K	1212.79	Joback Calculated Property
Cp,gas	1483.81	J/mol×K	1253.38	Joback Calculated Property
Cp,gas	1494.48	J/mol×K	1293.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(3-fluorobenzoyl)-, hexadecyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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