Chemical Properties of L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, tetradecyl ester

InChI

InChI=1S/C27H42F3NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-35-27(33)24(19(2)3)31-26(32)20-18-21(28)23(30)25(34-4)22(20)29/h18-19,24H,5-17H2,1-4H3,(H,31,32)

InChI Key

NCHVDNYYIYCGHT-UHFFFAOYSA-N

Formula

C27H42F3NO4

SMILES

CCCCCCCCCCCCCCOC(=O)C(NC(=O)c1cc(F)c(F)c(OC)c1F)C(C)C

Molecular Weight¹

501.62

• 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	1.2286		Relay (1.0) Calculated Property
ΔfG°	-717.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-1405.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	71.04	kJ/mol	Joback Calculated Property
ΔvapH°	127.06	kJ/mol	Relay (1.0) Calculated Property
IE	8.85	eV	Relay (1.0) Calculated Property
log10WS	-7.91		Relay (1.0) Calculated Property
logPoct/wat	7.111		Crippen Calculated Property
McVol	397.700	ml/mol	McGowan Calculated Property
Pc	792.15	kPa	Joback Calculated Property
Inp	[3159.00; 3159.00]
Inp	3159.00		NIST
Inp	3159.00		NIST
Tboil	672.34	K	Relay (1.0) Calculated Property
Tc	903.86	K	Relay (1.0) Calculated Property
Tfus	387.82	K	Relay (1.0) Calculated Property
Vc	1.462	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1384.39; 1450.89]	J/mol×K	[1063.44; 1319.59]
Cp,gas	1384.39	J/mol×K	1063.44	Joback Calculated Property
Cp,gas	1400.79	J/mol×K	1106.13	Joback Calculated Property
Cp,gas	1414.98	J/mol×K	1148.82	Joback Calculated Property
Cp,gas	1427.02	J/mol×K	1191.52	Joback Calculated Property
Cp,gas	1436.98	J/mol×K	1234.21	Joback Calculated Property
Cp,gas	1444.91	J/mol×K	1276.90	Joback Calculated Property
Cp,gas	1450.89	J/mol×K	1319.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, tetradecyl ester.

Sources

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

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