Chemical Properties of Sarcosine, N-(2,3,4-trifluorobenzoyl)-, tetradecyl ester

InChI

InChI=1S/C24H36F3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-31-21(29)18-28(2)24(30)19-15-16-20(25)23(27)22(19)26/h15-16H,3-14,17-18H2,1-2H3

InChI Key

HGXVTMYFGPWVQR-UHFFFAOYSA-N

Formula

C24H36F3NO3

SMILES

CCCCCCCCCCCCCCOC(=O)CN(C)C(=O)c1ccc(F)c(F)c1F

Molecular Weight¹

443.54

• 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	1.1412		Relay (... Calculated Property
ΔfG°	-601.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-1210.72	kJ/mol	Relay (... Calculated Property
ΔfusH°	67.44	kJ/mol	Joback Calculated Property
ΔvapH°	119.64	kJ/mol	Relay (... Calculated Property
IE	9.02	eV	Relay (... Calculated Property
log10WS	-7.29		Relay (... Calculated Property
logPoct/wat	6.420		Crippen Calculated Property
McVol	349.560	ml/mol	McGowan Calculated Property
Pc	938.64	kPa	Joback Calculated Property
Inp	[2958.00; 2958.00]
Inp	2958.00		NIST
Inp	2958.00		NIST
Tboil	663.70	K	Relay (... Calculated Property
Tc	857.48	K	Relay (... Calculated Property
Tfus	326.51	K	Relay (... Calculated Property
Vc	1.316	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1152.89; 1237.36]	J/mol×K	[930.55; 1140.26]
Cp,gas	1152.89	J/mol×K	930.55	Joback Calculated Property
Cp,gas	1170.01	J/mol×K	965.50	Joback Calculated Property
Cp,gas	1185.84	J/mol×K	1000.45	Joback Calculated Property
Cp,gas	1200.44	J/mol×K	1035.41	Joback Calculated Property
Cp,gas	1213.86	J/mol×K	1070.36	Joback Calculated Property
Cp,gas	1226.14	J/mol×K	1105.31	Joback Calculated Property
Cp,gas	1237.36	J/mol×K	1140.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(2,3,4-trifluorobenzoyl)-, tetradecyl ester.

Sources

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

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