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

InChI

InChI=1S/C23H34F3NO4/c1-5-6-7-8-9-10-11-12-13-31-23(29)20(15(2)3)27-22(28)16-14-17(24)19(26)21(30-4)18(16)25/h14-15,20H,5-13H2,1-4H3,(H,27,28)

InChI Key

AJXLGVOQLSGZHI-UHFFFAOYSA-N

Formula

C23H34F3NO4

SMILES

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

Molecular Weight¹

445.52

• 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	1.0822		Relay (1.0) Calculated Property
ΔfG°	-751.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-1327.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.68	kJ/mol	Joback Calculated Property
ΔvapH°	111.07	kJ/mol	Relay (1.0) Calculated Property
IE	8.74	eV	Relay (1.0) Calculated Property
log10WS	-6.83		Relay (1.0) Calculated Property
logPoct/wat	5.551		Crippen Calculated Property
McVol	341.340	ml/mol	McGowan Calculated Property
Pc	995.76	kPa	Joback Calculated Property
Inp	[2742.00; 2742.00]
Inp	2742.00		NIST
Inp	2742.00		NIST
Tboil	643.87	K	Relay (1.0) Calculated Property
Tc	873.85	K	Relay (1.0) Calculated Property
Tfus	383.53	K	Relay (1.0) Calculated Property
Vc	1.248	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1137.66; 1206.21]	J/mol×K	[971.92; 1191.12]
Cp,gas	1137.66	J/mol×K	971.92	Joback Calculated Property
Cp,gas	1152.82	J/mol×K	1008.45	Joback Calculated Property
Cp,gas	1166.45	J/mol×K	1044.99	Joback Calculated Property
Cp,gas	1178.58	J/mol×K	1081.52	Joback Calculated Property
Cp,gas	1189.23	J/mol×K	1118.05	Joback Calculated Property
Cp,gas	1198.43	J/mol×K	1154.59	Joback Calculated Property
Cp,gas	1206.21	J/mol×K	1191.12	Joback Calculated Property

Similar Compounds

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

Sources

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

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