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

InChI

InChI=1S/C16H24F7NO3/c1-4-5-6-7-8-9-27-12(25)11(10(2)3)24-13(26)14(17,18)15(19,20)16(21,22)23/h10-11H,4-9H2,1-3H3,(H,24,26)

InChI Key

MXZVFEVXCXJNSW-UHFFFAOYSA-N

Formula

C16H24F7NO3

SMILES

CCCCCCCOC(=O)C(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(C)C

Molecular Weight¹

411.36

• 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	0.7944		Relay (1.0) Calculated Property
ΔfG°	-1549.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-2243.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.95	kJ/mol	Joback Calculated Property
ΔvapH°	80.06	kJ/mol	Relay (1.0) Calculated Property
IE	9.54	eV	Relay (1.0) Calculated Property
log10WS	-5.79		Relay (1.0) Calculated Property
logPoct/wat	4.474		Crippen Calculated Property
McVol	267.680	ml/mol	McGowan Calculated Property
Pc	1210.67	kPa	Joback Calculated Property
Inp	[1594.00; 1594.00]
Inp	1594.00		NIST
Inp	1594.00		NIST
Tboil	523.39	K	Relay (1.0) Calculated Property
Tc	671.82	K	Relay (1.0) Calculated Property
Tfus	311.49	K	Relay (1.0) Calculated Property
Vc	0.979	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[825.72; 900.26]	J/mol×K	[730.13; 899.90]
Cp,gas	825.72	J/mol×K	730.13	Joback Calculated Property
Cp,gas	840.14	J/mol×K	758.43	Joback Calculated Property
Cp,gas	853.69	J/mol×K	786.72	Joback Calculated Property
Cp,gas	866.43	J/mol×K	815.02	Joback Calculated Property
Cp,gas	878.40	J/mol×K	843.31	Joback Calculated Property
Cp,gas	889.67	J/mol×K	871.61	Joback Calculated Property
Cp,gas	900.26	J/mol×K	899.90	Joback Calculated Property

Similar Compounds

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

Sources

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

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