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

InChI

InChI=1S/C23H36FNO3/c1-4-5-6-7-8-9-10-11-12-16-28-23(27)21(18(2)3)25-22(26)19-14-13-15-20(24)17-19/h13-15,17-18,21H,4-12,16H2,1-3H3,(H,25,26)

InChI Key

CGSTUZILBBQLCE-UHFFFAOYSA-N

Formula

C23H36FNO3

SMILES

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

Molecular Weight¹

393.54

• 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°	-227.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-803.57	kJ/mol	Joback Calculated Property
ΔfusH°	54.50	kJ/mol	Joback Calculated Property
ΔvapH°	90.47	kJ/mol	Joback Calculated Property
log10WS	-7.16		Crippen Calculated Property
logPoct/wat	5.654		Crippen Calculated Property
McVol	331.930	ml/mol	McGowan Calculated Property
Pc	1098.62	kPa	Joback Calculated Property
Inp	[2733.00; 2733.00]
Inp	2733.00		NIST
Inp	2733.00		NIST
Tboil	936.02	K	Joback Calculated Property
Tc	1146.73	K	Joback Calculated Property
Tfus	533.25	K	Joback Calculated Property
Vc	1.286	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1097.10; 1177.16]	J/mol×K	[936.02; 1146.73]
Cp,gas	1097.10	J/mol×K	936.02	Joback Calculated Property
Cp,gas	1113.45	J/mol×K	971.14	Joback Calculated Property
Cp,gas	1128.53	J/mol×K	1006.26	Joback Calculated Property
Cp,gas	1142.38	J/mol×K	1041.38	Joback Calculated Property
Cp,gas	1155.07	J/mol×K	1076.50	Joback Calculated Property
Cp,gas	1166.65	J/mol×K	1111.61	Joback Calculated Property
Cp,gas	1177.16	J/mol×K	1146.73	Joback Calculated Property

Similar Compounds

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

Sources

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

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