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

InChI

InChI=1S/C27H44FNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-32-27(31)25(22(2)3)29-26(30)23-17-19-24(28)20-18-23/h17-20,22,25H,4-16,21H2,1-3H3,(H,29,30)

InChI Key

LEBDECNEEBYPME-UHFFFAOYSA-N

Formula

C27H44FNO3

SMILES

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

Molecular Weight¹

449.64

• 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°	-193.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-886.13	kJ/mol	Joback Calculated Property
ΔfusH°	64.86	kJ/mol	Joback Calculated Property
ΔvapH°	99.38	kJ/mol	Joback Calculated Property
log10WS	-8.83		Crippen Calculated Property
logPoct/wat	7.215		Crippen Calculated Property
McVol	388.290	ml/mol	McGowan Calculated Property
Pc	864.54	kPa	Joback Calculated Property
Inp	[3153.00; 3153.00]
Inp	3153.00		NIST
Inp	3153.00		NIST
Tboil	1027.54	K	Joback Calculated Property
Tc	1262.18	K	Joback Calculated Property
Tfus	578.33	K	Joback Calculated Property
Vc	1.510	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1345.79; 1429.97]	J/mol×K	[1027.54; 1262.18]
Cp,gas	1345.79	J/mol×K	1027.54	Joback Calculated Property
Cp,gas	1363.51	J/mol×K	1066.65	Joback Calculated Property
Cp,gas	1379.64	J/mol×K	1105.75	Joback Calculated Property
Cp,gas	1394.26	J/mol×K	1144.86	Joback Calculated Property
Cp,gas	1407.46	J/mol×K	1183.96	Joback Calculated Property
Cp,gas	1419.33	J/mol×K	1223.07	Joback Calculated Property
Cp,gas	1429.97	J/mol×K	1262.18	Joback Calculated Property

Similar Compounds

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

Sources

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

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