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

InChI

InChI=1S/C25H42F7NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-36-21(34)20(19(2)3)33-22(35)23(26,27)24(28,29)25(30,31)32/h19-20H,4-18H2,1-3H3,(H,33,35)

InChI Key

NXGNMICEPSUWMX-UHFFFAOYSA-N

Formula

C25H42F7NO3

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(C)C

Molecular Weight¹

537.59

• 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	1.1276		Relay (1.0) Calculated Property
ΔfG°	-1473.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-2417.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	62.26	kJ/mol	Joback Calculated Property
ΔvapH°	116.57	kJ/mol	Relay (1.0) Calculated Property
IE	9.67	eV	Relay (1.0) Calculated Property
log10WS	-8.31		Relay (1.0) Calculated Property
logPoct/wat	7.985		Crippen Calculated Property
McVol	394.490	ml/mol	McGowan Calculated Property
Pc	715.68	kPa	Joback Calculated Property
Inp	[2451.00; 2451.00]
Inp	2451.00		NIST
Inp	2451.00		NIST
Tboil	613.89	K	Relay (1.0) Calculated Property
Tc	757.50	K	Relay (1.0) Calculated Property
Tfus	342.53	K	Relay (1.0) Calculated Property
Vc	1.460	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1363.92; 1467.09]	J/mol×K	[936.05; 1159.12]
Cp,gas	1363.92	J/mol×K	936.05	Joback Calculated Property
Cp,gas	1383.93	J/mol×K	973.23	Joback Calculated Property
Cp,gas	1402.61	J/mol×K	1010.41	Joback Calculated Property
Cp,gas	1420.12	J/mol×K	1047.59	Joback Calculated Property
Cp,gas	1436.61	J/mol×K	1084.76	Joback Calculated Property
Cp,gas	1452.21	J/mol×K	1121.94	Joback Calculated Property
Cp,gas	1467.09	J/mol×K	1159.12	Joback Calculated Property

Similar Compounds

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

Sources

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

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