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

InChI

InChI=1S/C24H37F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-30-24(29)19(2)27-23(28)20-15-16-21(25)22(26)18-20/h15-16,18-19H,3-14,17H2,1-2H3,(H,27,28)

InChI Key

KJERWXHNMGBNCV-UHFFFAOYSA-N

Formula

C24H37F2NO3

SMILES

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

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	1.1156		Relay (1.0) Calculated Property
ΔfG°	-421.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-1101.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	63.30	kJ/mol	Joback Calculated Property
ΔvapH°	123.41	kJ/mol	Relay (1.0) Calculated Property
IE	9.07	eV	Relay (1.0) Calculated Property
log10WS	-7.12		Relay (1.0) Calculated Property
logPoct/wat	6.327		Crippen Calculated Property
McVol	347.790	ml/mol	McGowan Calculated Property
Pc	988.26	kPa	Joback Calculated Property
Inp	[2949.00; 2949.00]
Inp	2949.00		NIST
Inp	2949.00		NIST
Tboil	655.51	K	Relay (1.0) Calculated Property
Tc	878.35	K	Relay (1.0) Calculated Property
Tfus	347.89	K	Relay (1.0) Calculated Property
Vc	1.292	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1164.39; 1244.14]	J/mol×K	[963.59; 1180.27]
Cp,gas	1164.39	J/mol×K	963.59	Joback Calculated Property
Cp,gas	1180.88	J/mol×K	999.70	Joback Calculated Property
Cp,gas	1196.02	J/mol×K	1035.82	Joback Calculated Property
Cp,gas	1209.86	J/mol×K	1071.93	Joback Calculated Property
Cp,gas	1222.46	J/mol×K	1108.04	Joback Calculated Property
Cp,gas	1233.87	J/mol×K	1144.16	Joback Calculated Property
Cp,gas	1244.14	J/mol×K	1180.27	Joback Calculated Property

Similar Compounds

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

Sources

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

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