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

• 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	0.9691		Relay (1.0) Calculated Property
ΔfG°	-454.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-1018.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.94	kJ/mol	Joback Calculated Property
ΔvapH°	107.35	kJ/mol	Relay (1.0) Calculated Property
IE	8.96	eV	Relay (1.0) Calculated Property
log10WS	-6.00		Relay (1.0) 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	627.02	K	Relay (1.0) Calculated Property
Tc	847.33	K	Relay (1.0) Calculated Property
Tfus	339.94	K	Relay (1.0) Calculated Property
Vc	1.076	m3/kmol	Relay (1.0) 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.