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

InChI

InChI=1S/C29H48FNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-34-29(33)27(24(2)3)31-28(32)25-19-21-26(30)22-20-25/h19-22,24,27H,4-18,23H2,1-3H3,(H,31,32)

InChI Key

BPLUKPYHSJHXNA-UHFFFAOYSA-N

Formula

C29H48FNO3

SMILES

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

Molecular Weight¹

477.69

• 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°	-177.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-927.41	kJ/mol	Joback Calculated Property
ΔfusH°	70.04	kJ/mol	Joback Calculated Property
ΔvapH°	103.83	kJ/mol	Joback Calculated Property
log10WS	-9.67		Crippen Calculated Property
logPoct/wat	7.995		Crippen Calculated Property
McVol	416.470	ml/mol	McGowan Calculated Property
Pc	774.61	kPa	Joback Calculated Property
Inp	[3357.00; 3357.00]
Inp	3357.00		NIST
Inp	3357.00		NIST
Tboil	1073.30	K	Joback Calculated Property
Tc	1327.12	K	Joback Calculated Property
Tfus	600.87	K	Joback Calculated Property
Vc	1.623	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1472.57; 1559.49]	J/mol×K	[1073.30; 1327.12]
Cp,gas	1472.57	J/mol×K	1073.30	Joback Calculated Property
Cp,gas	1491.24	J/mol×K	1115.60	Joback Calculated Property
Cp,gas	1508.07	J/mol×K	1157.91	Joback Calculated Property
Cp,gas	1523.19	J/mol×K	1200.21	Joback Calculated Property
Cp,gas	1536.71	J/mol×K	1242.52	Joback Calculated Property
Cp,gas	1548.77	J/mol×K	1284.82	Joback Calculated Property
Cp,gas	1559.49	J/mol×K	1327.12	Joback Calculated Property

Similar Compounds

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

Sources

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

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