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

InChI

InChI=1S/C28H44F3NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-36-28(34)25(20(2)3)32-27(33)21-19-22(29)24(31)26(35-4)23(21)30/h19-20,25H,5-18H2,1-4H3,(H,32,33)

InChI Key

DSKJBKZIZSVUIT-UHFFFAOYSA-N

Formula

C28H44F3NO4

SMILES

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

Molecular Weight¹

515.65

• 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	1.2649		Relay (1.0) Calculated Property
ΔfG°	-708.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-1425.68	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	73.63	kJ/mol	Joback Calculated Property
ΔvapH°	131.01	kJ/mol	Relay (1.0) Calculated Property
IE	8.89	eV	Relay (1.0) Calculated Property
log10WS	-8.19		Relay (1.0) Calculated Property
logPoct/wat	7.501		Crippen Calculated Property
McVol	411.790	ml/mol	McGowan Calculated Property
Pc	751.02	kPa	Joback Calculated Property
Inp	[3271.00; 3271.00]
Inp	3271.00		NIST
Inp	3271.00		NIST
Tboil	679.31	K	Relay (1.0) Calculated Property
Tc	910.86	K	Relay (1.0) Calculated Property
Tfus	388.62	K	Relay (1.0) Calculated Property
Vc	1.516	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1446.81; 1511.97]	J/mol×K	[1086.32; 1355.23]
Cp,gas	1446.81	J/mol×K	1086.32	Joback Calculated Property
Cp,gas	1463.53	J/mol×K	1131.14	Joback Calculated Property
Cp,gas	1477.81	J/mol×K	1175.96	Joback Calculated Property
Cp,gas	1489.71	J/mol×K	1220.77	Joback Calculated Property
Cp,gas	1499.32	J/mol×K	1265.59	Joback Calculated Property
Cp,gas	1506.71	J/mol×K	1310.41	Joback Calculated Property
Cp,gas	1511.97	J/mol×K	1355.23	Joback Calculated Property

Similar Compounds

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

Sources

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

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