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

InChI

InChI=1S/C24H37F2NO3/c1-4-5-6-7-8-9-10-11-12-13-17-30-24(29)22(18(2)3)27-23(28)21-19(25)15-14-16-20(21)26/h14-16,18,22H,4-13,17H2,1-3H3,(H,27,28)

InChI Key

OCEHRZHSMKNRJC-UHFFFAOYSA-N

Formula

C24H37F2NO3

SMILES

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

Molecular Weight¹

425.55

• 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	1.0672		Relay (1.0) Calculated Property
ΔfG°	-423.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-1092.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.78	kJ/mol	Joback Calculated Property
ΔvapH°	114.86	kJ/mol	Relay (1.0) Calculated Property
IE	9.03	eV	Relay (1.0) Calculated Property
log10WS	-7.13		Relay (1.0) Calculated Property
logPoct/wat	6.183		Crippen Calculated Property
McVol	347.790	ml/mol	McGowan Calculated Property
Pc	993.25	kPa	Joback Calculated Property
Inp	[2880.00; 2880.00]
Inp	2880.00		NIST
Inp	2880.00		NIST
Tboil	642.76	K	Relay (1.0) Calculated Property
Tc	884.02	K	Relay (1.0) Calculated Property
Tfus	375.58	K	Relay (1.0) Calculated Property
Vc	1.271	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1164.78; 1243.93]	J/mol×K	[963.15; 1179.39]
Cp,gas	1164.78	J/mol×K	963.15	Joback Calculated Property
Cp,gas	1181.20	J/mol×K	999.19	Joback Calculated Property
Cp,gas	1196.25	J/mol×K	1035.23	Joback Calculated Property
Cp,gas	1210.00	J/mol×K	1071.27	Joback Calculated Property
Cp,gas	1222.49	J/mol×K	1107.31	Joback Calculated Property
Cp,gas	1233.78	J/mol×K	1143.35	Joback Calculated Property
Cp,gas	1243.93	J/mol×K	1179.39	Joback Calculated Property

Similar Compounds

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

Sources

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

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