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

InChI

InChI=1S/C27H42F3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-34-25(32)22-31(2)26(33)23-17-19-24(20-18-23)27(28,29)30/h17-20H,3-16,21-22H2,1-2H3

InChI Key

NCNYCOAUIVWPDS-UHFFFAOYSA-N

Formula

C27H42F3NO3

SMILES

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

Molecular Weight¹

485.62

• 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°	-554.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-1262.48	kJ/mol	Joback Calculated Property
ΔfusH°	68.57	kJ/mol	Joback Calculated Property
ΔvapH°	92.83	kJ/mol	Joback Calculated Property
log10WS	-8.70		Crippen Calculated Property
logPoct/wat	7.802		Crippen Calculated Property
McVol	391.830	ml/mol	McGowan Calculated Property
Pc	814.93	kPa	Joback Calculated Property
Inp	[3299.00; 3299.00]
Inp	3299.00		NIST
Inp	3299.00		NIST
Tboil	986.00	K	Joback Calculated Property
Tc	1212.34	K	Joback Calculated Property
Tfus	591.74	K	Joback Calculated Property
Vc	1.530	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1340.88; 1434.83]	J/mol×K	[986.00; 1212.34]
Cp,gas	1340.88	J/mol×K	986.00	Joback Calculated Property
Cp,gas	1359.54	J/mol×K	1023.72	Joback Calculated Property
Cp,gas	1376.84	J/mol×K	1061.45	Joback Calculated Property
Cp,gas	1392.90	J/mol×K	1099.17	Joback Calculated Property
Cp,gas	1407.84	J/mol×K	1136.89	Joback Calculated Property
Cp,gas	1421.78	J/mol×K	1174.62	Joback Calculated Property
Cp,gas	1434.83	J/mol×K	1212.34	Joback Calculated Property

Similar Compounds

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

Sources

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

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