Chemical Properties of L-Valine, N-(3-trifluoromethylbenzoyl)-, tetradecyl ester

InChI

InChI=1S/C27H42F3NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-34-26(33)24(21(2)3)31-25(32)22-17-16-18-23(20-22)27(28,29)30/h16-18,20-21,24H,4-15,19H2,1-3H3,(H,31,32)

InChI Key

HIPYJRUZLYMGBE-UHFFFAOYSA-N

Formula

C27H42F3NO3

SMILES

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

Molecular Weight¹

485.62

• 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	1.1516		Relay (1.0) Calculated Property
ΔfG°	-580.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-1443.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	63.60	kJ/mol	Joback Calculated Property
ΔvapH°	124.67	kJ/mol	Relay (1.0) Calculated Property
IE	9.20	eV	Relay (1.0) Calculated Property
log10WS	-7.78		Relay (1.0) Calculated Property
logPoct/wat	7.704		Crippen Calculated Property
McVol	391.830	ml/mol	McGowan Calculated Property
Pc	829.55	kPa	Joback Calculated Property
Inp	[2944.00; 2944.00]
Inp	2944.00		NIST
Inp	2944.00		NIST
Tboil	675.62	K	Relay (1.0) Calculated Property
Tc	899.91	K	Relay (1.0) Calculated Property
Tfus	369.59	K	Relay (1.0) Calculated Property
Vc	1.431	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1358.94; 1446.24]	J/mol×K	[1022.85; 1258.18]
Cp,gas	1358.94	J/mol×K	1022.85	Joback Calculated Property
Cp,gas	1376.67	J/mol×K	1062.07	Joback Calculated Property
Cp,gas	1392.97	J/mol×K	1101.29	Joback Calculated Property
Cp,gas	1407.95	J/mol×K	1140.51	Joback Calculated Property
Cp,gas	1421.74	J/mol×K	1179.73	Joback Calculated Property
Cp,gas	1434.47	J/mol×K	1218.96	Joback Calculated Property
Cp,gas	1446.24	J/mol×K	1258.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(3-trifluoromethylbenzoyl)-, tetradecyl ester.

Sources

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

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