Chemical Properties of L-Valine, N-(2,6-difluorobenzoyl)-, tetradecyl ester

InChI

InChI=1S/C26H41F2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-32-26(31)24(20(2)3)29-25(30)23-21(27)17-16-18-22(23)28/h16-18,20,24H,4-15,19H2,1-3H3,(H,29,30)

InChI Key

GTWNASFRWBBCGR-UHFFFAOYSA-N

Formula

C26H41F2NO3

SMILES

CCCCCCCCCCCCCCOC(=O)C(NC(=O)c1c(F)cccc1F)C(C)C

Molecular Weight¹

453.61

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	1.1400		Relay (1.0) Calculated Property
ΔfG°	-406.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-1133.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.96	kJ/mol	Joback Calculated Property
ΔvapH°	122.76	kJ/mol	Relay (1.0) Calculated Property
IE	9.09	eV	Relay (1.0) Calculated Property
log10WS	-7.67		Relay (1.0) Calculated Property
logPoct/wat	6.964		Crippen Calculated Property
McVol	375.970	ml/mol	McGowan Calculated Property
Pc	883.14	kPa	Joback Calculated Property
Inp	[3107.00; 3107.00]
Inp	3107.00		NIST
Inp	3107.00		NIST
Tboil	656.63	K	Relay (1.0) Calculated Property
Tc	898.57	K	Relay (1.0) Calculated Property
Tfus	377.27	K	Relay (1.0) Calculated Property
Vc	1.378	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1288.96; 1370.21]	J/mol×K	[1008.91; 1239.03]
Cp,gas	1288.96	J/mol×K	1008.91	Joback Calculated Property
Cp,gas	1306.15	J/mol×K	1047.26	Joback Calculated Property
Cp,gas	1321.79	J/mol×K	1085.62	Joback Calculated Property
Cp,gas	1335.93	J/mol×K	1123.97	Joback Calculated Property
Cp,gas	1348.67	J/mol×K	1162.32	Joback Calculated Property
Cp,gas	1360.07	J/mol×K	1200.67	Joback Calculated Property
Cp,gas	1370.21	J/mol×K	1239.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(2,6-difluorobenzoyl)-, tetradecyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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