Chemical Properties of Sarcosine, N-(4-trifluoromethylbenzoyl)-, tetradecyl ester

InChI

InChI=1S/C25H38F3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-32-23(30)20-29(2)24(31)21-15-17-22(18-16-21)25(26,27)28/h15-18H,3-14,19-20H2,1-2H3

InChI Key

BGUQEPCCSNJPDF-UHFFFAOYSA-N

Formula

C25H38F3NO3

SMILES

CCCCCCCCCCCCCCOC(=O)CN(C)C(=O)c1ccc(C(F)(F)F)cc1

Molecular Weight¹

457.57

• 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°	-571.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-1221.20	kJ/mol	Joback Calculated Property
ΔfusH°	63.39	kJ/mol	Joback Calculated Property
ΔvapH°	88.38	kJ/mol	Joback Calculated Property
log10WS	-7.86		Crippen Calculated Property
logPoct/wat	7.022		Crippen Calculated Property
McVol	363.650	ml/mol	McGowan Calculated Property
Pc	912.18	kPa	Joback Calculated Property
Inp	[2943.00; 2943.00]
Inp	2943.00		NIST
Inp	2943.00		NIST
Tboil	940.24	K	Joback Calculated Property
Tc	1151.76	K	Joback Calculated Property
Tfus	569.20	K	Joback Calculated Property
Vc	1.419	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1215.82; 1304.40]	J/mol×K	[940.24; 1151.76]
Cp,gas	1215.82	J/mol×K	940.24	Joback Calculated Property
Cp,gas	1233.34	J/mol×K	975.49	Joback Calculated Property
Cp,gas	1249.63	J/mol×K	1010.75	Joback Calculated Property
Cp,gas	1264.79	J/mol×K	1046.00	Joback Calculated Property
Cp,gas	1278.91	J/mol×K	1081.26	Joback Calculated Property
Cp,gas	1292.09	J/mol×K	1116.51	Joback Calculated Property
Cp,gas	1304.40	J/mol×K	1151.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(4-trifluoromethylbenzoyl)-, tetradecyl ester.

Sources

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

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