Chemical Properties of L-Valine, N-pentafluorobenzoyl-, pentyl ester

InChI

InChI=1S/C17H20F5NO3/c1-4-5-6-7-26-17(25)15(8(2)3)23-16(24)9-10(18)12(20)14(22)13(21)11(9)19/h8,15H,4-7H2,1-3H3,(H,23,24)

InChI Key

BWCHYXCAWRMRDI-UHFFFAOYSA-N

Formula

C17H20F5NO3

SMILES

CCCCCOC(=O)C(NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(C)C

Molecular Weight¹

381.34

• 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	0.8492		Relay (1.0) Calculated Property
ΔfG°	-1095.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-1385.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.72	kJ/mol	Joback Calculated Property
ΔvapH°	88.41	kJ/mol	Relay (1.0) Calculated Property
IE	9.16	eV	Relay (1.0) Calculated Property
log10WS	-6.43		Relay (1.0) Calculated Property
logPoct/wat	3.870		Crippen Calculated Property
McVol	254.470	ml/mol	McGowan Calculated Property
Pc	1391.25	kPa	Joback Calculated Property
Inp	[2013.00; 2013.00]
Inp	2013.00		NIST
Inp	2013.00		NIST
Tboil	576.75	K	Relay (1.0) Calculated Property
Tc	793.19	K	Relay (1.0) Calculated Property
Tfus	368.81	K	Relay (1.0) Calculated Property
Vc	0.921	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[768.44; 833.68]	J/mol×K	[815.74; 1004.41]
Cp,gas	768.44	J/mol×K	815.74	Joback Calculated Property
Cp,gas	781.46	J/mol×K	847.19	Joback Calculated Property
Cp,gas	793.61	J/mol×K	878.63	Joback Calculated Property
Cp,gas	804.89	J/mol×K	910.08	Joback Calculated Property
Cp,gas	815.33	J/mol×K	941.52	Joback Calculated Property
Cp,gas	824.92	J/mol×K	972.97	Joback Calculated Property
Cp,gas	833.68	J/mol×K	1004.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-pentafluorobenzoyl-, pentyl ester.

Sources

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

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