Chemical Properties of L-Valine, N-(2,6-difluoro-3-methylbenzoyl)-, tetradecyl ester

InChI

InChI=1S/C27H43F2NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-33-27(32)25(20(2)3)30-26(31)23-22(28)18-17-21(4)24(23)29/h17-18,20,25H,5-16,19H2,1-4H3,(H,30,31)

InChI Key

IDHXZKHJQHUSEF-UHFFFAOYSA-N

Formula

C27H43F2NO3

SMILES

CCCCCCCCCCCCCCOC(=O)C(NC(=O)c1c(F)ccc(C)c1F)C(C)C

Molecular Weight¹

467.63

• 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	1.1661		Relay (1.0) Calculated Property
ΔfG°	-407.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-1167.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	67.16	kJ/mol	Joback Calculated Property
ΔvapH°	125.86	kJ/mol	Relay (1.0) Calculated Property
IE	8.77	eV	Relay (1.0) Calculated Property
log10WS	-7.83		Relay (1.0) Calculated Property
logPoct/wat	7.272		Crippen Calculated Property
McVol	390.060	ml/mol	McGowan Calculated Property
Pc	827.64	kPa	Joback Calculated Property
Inp	[3200.00; 3200.00]
Inp	3200.00		NIST
Inp	3200.00		NIST
Tboil	668.34	K	Relay (1.0) Calculated Property
Tc	909.65	K	Relay (1.0) Calculated Property
Tfus	377.75	K	Relay (1.0) Calculated Property
Vc	1.432	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1350.92; 1431.39]	J/mol×K	[1036.77; 1277.07]
Cp,gas	1350.92	J/mol×K	1036.77	Joback Calculated Property
Cp,gas	1368.40	J/mol×K	1076.82	Joback Calculated Property
Cp,gas	1384.14	J/mol×K	1116.87	Joback Calculated Property
Cp,gas	1398.23	J/mol×K	1156.92	Joback Calculated Property
Cp,gas	1410.75	J/mol×K	1196.97	Joback Calculated Property
Cp,gas	1421.78	J/mol×K	1237.02	Joback Calculated Property
Cp,gas	1431.39	J/mol×K	1277.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(2,6-difluoro-3-methylbenzoyl)-, tetradecyl ester.

Sources

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

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