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

InChI

InChI=1S/C15H22F7NO3/c1-4-5-6-7-8-26-11(24)10(9(2)3)23-12(25)13(16,17)14(18,19)15(20,21)22/h9-10H,4-8H2,1-3H3,(H,23,25)

InChI Key

FYDSVYCRZSEXAA-UHFFFAOYSA-N

Formula

C15H22F7NO3

SMILES

CCCCCCOC(=O)C(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(C)C

Molecular Weight¹

397.33

• 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).
• 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
ΔfG°	-1558.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-2066.42	kJ/mol	Joback Calculated Property
ΔfusH°	36.36	kJ/mol	Joback Calculated Property
ΔvapH°	60.94	kJ/mol	Joback Calculated Property
log10WS	-5.09		Crippen Calculated Property
logPoct/wat	4.084		Crippen Calculated Property
McVol	253.590	ml/mol	McGowan Calculated Property
Pc	1295.79	kPa	Joback Calculated Property
Inp	[1511.00; 1511.00]
Inp	1511.00		NIST
Inp	1511.00		NIST
Tboil	707.25	K	Joback Calculated Property
Tc	875.10	K	Joback Calculated Property
Tfus	414.95	K	Joback Calculated Property
Vc	1.022	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[770.11; 842.47]	J/mol×K	[707.25; 875.10]
Cp,gas	770.11	J/mol×K	707.25	Joback Calculated Property
Cp,gas	784.12	J/mol×K	735.22	Joback Calculated Property
Cp,gas	797.28	J/mol×K	763.20	Joback Calculated Property
Cp,gas	809.65	J/mol×K	791.17	Joback Calculated Property
Cp,gas	821.28	J/mol×K	819.15	Joback Calculated Property
Cp,gas	832.20	J/mol×K	847.12	Joback Calculated Property
Cp,gas	842.47	J/mol×K	875.10	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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