Chemical Properties of D-Alanine, N-(3,4-difluorobenzoyl)-, decyl ester

InChI

InChI=1S/C20H29F2NO3/c1-3-4-5-6-7-8-9-10-13-26-20(25)15(2)23-19(24)16-11-12-17(21)18(22)14-16/h11-12,14-15H,3-10,13H2,1-2H3,(H,23,24)

InChI Key

MPFBRGDGWNYEIQ-UHFFFAOYSA-N

Formula

C20H29F2NO3

SMILES

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

Molecular Weight¹

369.45

• 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°	-454.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-943.95	kJ/mol	Joback Calculated Property
ΔfusH°	52.94	kJ/mol	Joback Calculated Property
ΔvapH°	84.03	kJ/mol	Joback Calculated Property
log10WS	-6.48		Crippen Calculated Property
logPoct/wat	4.767		Crippen Calculated Property
McVol	291.430	ml/mol	McGowan Calculated Property
Pc	1278.25	kPa	Joback Calculated Property
Inp	[2532.00; 2532.00]
Inp	2532.00		NIST
Inp	2532.00		NIST
Tboil	872.07	K	Joback Calculated Property
Tc	1071.74	K	Joback Calculated Property
Tfus	527.55	K	Joback Calculated Property
Vc	1.143	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[922.29; 997.51]	J/mol×K	[872.07; 1071.74]
Cp,gas	922.29	J/mol×K	872.07	Joback Calculated Property
Cp,gas	937.42	J/mol×K	905.35	Joback Calculated Property
Cp,gas	951.47	J/mol×K	938.63	Joback Calculated Property
Cp,gas	964.47	J/mol×K	971.91	Joback Calculated Property
Cp,gas	976.45	J/mol×K	1005.19	Joback Calculated Property
Cp,gas	987.46	J/mol×K	1038.46	Joback Calculated Property
Cp,gas	997.51	J/mol×K	1071.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to D-Alanine, N-(3,4-difluorobenzoyl)-, decyl ester.

Sources

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

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