Chemical Properties of L-Valine, N-(2,6-difluorobenzoyl)-, heptadecyl ester

InChI

InChI=1S/C29H47F2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-35-29(34)27(23(2)3)32-28(33)26-24(30)20-19-21-25(26)31/h19-21,23,27H,4-18,22H2,1-3H3,(H,32,33)

InChI Key

UNMPGZMFYWXAOD-UHFFFAOYSA-N

Formula

C29H47F2NO3

SMILES

CCCCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1c(F)cccc1F)C(C)C

Molecular Weight¹

495.69

• 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	1.2482		Relay (1.0) Calculated Property
ΔfG°	-381.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-1195.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	72.73	kJ/mol	Joback Calculated Property
ΔvapH°	134.58	kJ/mol	Relay (1.0) Calculated Property
IE	9.21	eV	Relay (1.0) Calculated Property
log10WS	-8.50		Relay (1.0) Calculated Property
logPoct/wat	8.134		Crippen Calculated Property
McVol	418.240	ml/mol	McGowan Calculated Property
Pc	749.38	kPa	Joback Calculated Property
Inp	[3426.00; 3426.00]
Inp	3426.00		NIST
Inp	3426.00		NIST
Tboil	677.20	K	Relay (1.0) Calculated Property
Tc	919.51	K	Relay (1.0) Calculated Property
Tfus	380.39	K	Relay (1.0) Calculated Property
Vc	1.540	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1478.17; 1563.03]	J/mol×K	[1077.55; 1337.98]
Cp,gas	1478.17	J/mol×K	1077.55	Joback Calculated Property
Cp,gas	1496.84	J/mol×K	1120.95	Joback Calculated Property
Cp,gas	1513.53	J/mol×K	1164.36	Joback Calculated Property
Cp,gas	1528.36	J/mol×K	1207.76	Joback Calculated Property
Cp,gas	1541.48	J/mol×K	1251.17	Joback Calculated Property
Cp,gas	1552.99	J/mol×K	1294.57	Joback Calculated Property
Cp,gas	1563.03	J/mol×K	1337.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(2,6-difluorobenzoyl)-, heptadecyl ester.

Sources

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

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