Chemical Properties of L-Valine, N-heptafluorobutyryl-, n-butyl ester

InChI

InChI=1S/C13H18F7NO3/c1-4-5-6-24-9(22)8(7(2)3)21-10(23)11(14,15)12(16,17)13(18,19)20/h7-8H,4-6H2,1-3H3,(H,21,23)

InChI Key

AOFDHKDMSRIGGQ-UHFFFAOYSA-N

Formula

C13H18F7NO3

SMILES

CCCCOC(=O)C(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(C)C

Molecular Weight¹

369.28

Other Names

• L-Valine, N-heptafluorobutyryl-, isobutyl ester

• 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	0.6813		Relay (1.0) Calculated Property
ΔfG°	-1574.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-2188.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.18	kJ/mol	Joback Calculated Property
ΔvapH°	70.98	kJ/mol	Relay (1.0) Calculated Property
IE	9.63	eV	Relay (1.0) Calculated Property
log10WS	-4.74		Relay (1.0) Calculated Property
logPoct/wat	3.303		Crippen Calculated Property
McVol	225.410	ml/mol	McGowan Calculated Property
Pc	1495.35	kPa	Joback Calculated Property
Inp	[1307.00; 1344.00]
Inp	1307.00		NIST
Inp	1344.00		NIST
Inp	1307.00		NIST
Tboil	486.01	K	Relay (1.0) Calculated Property
Tc	634.85	K	Relay (1.0) Calculated Property
Tfus	299.81	K	Relay (1.0) Calculated Property
Vc	0.818	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[662.12; 730.09]	J/mol×K	[661.49; 827.12]
Cp,gas	662.12	J/mol×K	661.49	Joback Calculated Property
Cp,gas	675.32	J/mol×K	689.10	Joback Calculated Property
Cp,gas	687.71	J/mol×K	716.70	Joback Calculated Property
Cp,gas	699.34	J/mol×K	744.31	Joback Calculated Property
Cp,gas	710.26	J/mol×K	771.91	Joback Calculated Property
Cp,gas	720.49	J/mol×K	799.52	Joback Calculated Property
Cp,gas	730.09	J/mol×K	827.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-heptafluorobutyryl-, n-butyl ester.

Sources

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

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