Chemical Properties of L-Valine, N-(3,4-difluorobenzoyl)-, nonyl ester

InChI

InChI=1S/C21H31F2NO3/c1-4-5-6-7-8-9-10-13-27-21(26)19(15(2)3)24-20(25)16-11-12-17(22)18(23)14-16/h11-12,14-15,19H,4-10,13H2,1-3H3,(H,24,25)

InChI Key

NMLIITUQKDBZTP-UHFFFAOYSA-N

Formula

C21H31F2NO3

SMILES

CCCCCCCCCOC(=O)C(NC(=O)c1ccc(F)c(F)c1)C(C)C

Molecular Weight¹

383.47

• 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°	-448.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-969.87	kJ/mol	Joback Calculated Property
ΔfusH°	52.01	kJ/mol	Joback Calculated Property
ΔvapH°	85.87	kJ/mol	Joback Calculated Property
log10WS	-6.65		Crippen Calculated Property
logPoct/wat	5.013		Crippen Calculated Property
McVol	305.520	ml/mol	McGowan Calculated Property
Pc	1201.46	kPa	Joback Calculated Property
Inp	[2512.00; 2512.00]
Inp	2512.00		NIST
Inp	2512.00		NIST
Tboil	894.51	K	Joback Calculated Property
Tc	1097.76	K	Joback Calculated Property
Tfus	523.82	K	Joback Calculated Property
Vc	1.192	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[982.37; 1058.60]	J/mol×K	[894.51; 1097.76]
Cp,gas	982.37	J/mol×K	894.51	Joback Calculated Property
Cp,gas	997.83	J/mol×K	928.38	Joback Calculated Property
Cp,gas	1012.15	J/mol×K	962.26	Joback Calculated Property
Cp,gas	1025.34	J/mol×K	996.13	Joback Calculated Property
Cp,gas	1037.46	J/mol×K	1030.01	Joback Calculated Property
Cp,gas	1048.53	J/mol×K	1063.88	Joback Calculated Property
Cp,gas	1058.60	J/mol×K	1097.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(3,4-difluorobenzoyl)-, nonyl ester.

Sources

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

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