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

InChI

InChI=1S/C24H38FNO3/c1-4-5-6-7-8-9-10-11-12-13-18-29-24(28)22(19(2)3)26-23(27)20-14-16-21(25)17-15-20/h14-17,19,22H,4-13,18H2,1-3H3,(H,26,27)

InChI Key

WXOITMBKBOEKKV-UHFFFAOYSA-N

Formula

C24H38FNO3

SMILES

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

Molecular Weight¹

407.56

• 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°	-219.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-824.21	kJ/mol	Joback Calculated Property
ΔfusH°	57.09	kJ/mol	Joback Calculated Property
ΔvapH°	92.70	kJ/mol	Joback Calculated Property
log10WS	-7.58		Crippen Calculated Property
logPoct/wat	6.044		Crippen Calculated Property
McVol	346.020	ml/mol	McGowan Calculated Property
Pc	1031.91	kPa	Joback Calculated Property
Inp	[2836.00; 2836.00]
Inp	2836.00		NIST
Inp	2836.00		NIST
Tboil	958.90	K	Joback Calculated Property
Tc	1173.99	K	Joback Calculated Property
Tfus	544.52	K	Joback Calculated Property
Vc	1.343	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1158.56; 1239.53]	J/mol×K	[958.90; 1173.99]
Cp,gas	1158.56	J/mol×K	958.90	Joback Calculated Property
Cp,gas	1175.20	J/mol×K	994.75	Joback Calculated Property
Cp,gas	1190.50	J/mol×K	1030.60	Joback Calculated Property
Cp,gas	1204.52	J/mol×K	1066.45	Joback Calculated Property
Cp,gas	1217.33	J/mol×K	1102.30	Joback Calculated Property
Cp,gas	1228.98	J/mol×K	1138.15	Joback Calculated Property
Cp,gas	1239.53	J/mol×K	1173.99	Joback Calculated Property

Similar Compounds

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

Sources

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

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