Chemical Properties of L-Valine, N-(3-chloro-2-fluorobenzoyl)-, hexadecyl ester

InChI

InChI=1S/C28H45ClFNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-34-28(33)26(22(2)3)31-27(32)23-19-18-20-24(29)25(23)30/h18-20,22,26H,4-17,21H2,1-3H3,(H,31,32)

InChI Key

QQBWPQXGUITAQF-UHFFFAOYSA-N

Formula

C28H45ClFNO3

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1cccc(Cl)c1F)C(C)C

Molecular Weight¹

498.11

• 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°	-207.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-933.98	kJ/mol	Joback Calculated Property
ΔfusH°	71.26	kJ/mol	Joback Calculated Property
ΔvapH°	106.65	kJ/mol	Joback Calculated Property
log10WS	-9.94		Crippen Calculated Property
logPoct/wat	8.258		Crippen Calculated Property
McVol	414.620	ml/mol	McGowan Calculated Property
Pc	793.94	kPa	Joback Calculated Property
Inp	[3451.00; 3451.00]
Inp	3451.00		NIST
Inp	3451.00		NIST
Tboil	1092.83	K	Joback Calculated Property
Tc	1350.59	K	Joback Calculated Property
Tfus	632.04	K	Joback Calculated Property
Vc	1.615	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1432.50; 1509.34]	J/mol×K	[1092.83; 1350.59]
Cp,gas	1432.50	J/mol×K	1092.83	Joback Calculated Property
Cp,gas	1449.45	J/mol×K	1135.79	Joback Calculated Property
Cp,gas	1464.58	J/mol×K	1178.75	Joback Calculated Property
Cp,gas	1478.02	J/mol×K	1221.71	Joback Calculated Property
Cp,gas	1489.88	J/mol×K	1264.67	Joback Calculated Property
Cp,gas	1500.28	J/mol×K	1307.63	Joback Calculated Property
Cp,gas	1509.34	J/mol×K	1350.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(3-chloro-2-fluorobenzoyl)-, hexadecyl ester.

Sources

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

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