Chemical Properties of l-Valine, n-heptafluorobutyryl-, isohexyl ester

InChI

InChI=1S/C15H22F7NO3/c1-8(2)6-5-7-26-11(24)10(9(3)4)23-12(25)13(16,17)14(18,19)15(20,21)22/h8-10H,5-7H2,1-4H3,(H,23,25)

InChI Key

ZAMRNBRCTJEGMS-UHFFFAOYSA-N

Formula

C15H22F7NO3

SMILES

CC(C)CCCOC(=O)C(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(C)C

Molecular Weight¹

397.33

• 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	0.7274		Relay (1.0) Calculated Property
ΔfG°	-1560.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-2248.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.84	kJ/mol	Joback Calculated Property
ΔvapH°	75.73	kJ/mol	Relay (1.0) Calculated Property
IE	9.64	eV	Relay (1.0) Calculated Property
log10WS	-5.38		Relay (1.0) Calculated Property
logPoct/wat	3.939		Crippen Calculated Property
McVol	253.590	ml/mol	McGowan Calculated Property
Pc	1303.29	kPa	Joback Calculated Property
Inp	[1469.00; 1469.00]
Inp	1469.00		NIST
Inp	1469.00		NIST
Tboil	508.42	K	Relay (1.0) Calculated Property
Tc	660.07	K	Relay (1.0) Calculated Property
Tfus	314.88	K	Relay (1.0) Calculated Property
Vc	0.918	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[770.61; 843.53]	J/mol×K	[706.81; 876.08]
Cp,gas	770.61	J/mol×K	706.81	Joback Calculated Property
Cp,gas	784.76	J/mol×K	735.02	Joback Calculated Property
Cp,gas	798.05	J/mol×K	763.23	Joback Calculated Property
Cp,gas	810.52	J/mol×K	791.45	Joback Calculated Property
Cp,gas	822.23	J/mol×K	819.66	Joback Calculated Property
Cp,gas	833.21	J/mol×K	847.87	Joback Calculated Property
Cp,gas	843.53	J/mol×K	876.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Valine, n-heptafluorobutyryl-, isohexyl ester.

Sources

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

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