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

InChI

InChI=1S/C22H32F3NO3/c1-3-4-5-6-7-8-9-10-11-16-29-20(27)17-26(2)21(28)18-12-14-19(15-13-18)22(23,24)25/h12-15H,3-11,16-17H2,1-2H3

InChI Key

FAIYOIMAQQRFNC-UHFFFAOYSA-N

Formula

C22H32F3NO3

SMILES

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

Molecular Weight¹

415.49

• 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	1.0309		Relay (1.0) Calculated Property
ΔfG°	-596.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-1297.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.62	kJ/mol	Joback Calculated Property
ΔvapH°	107.65	kJ/mol	Relay (1.0) Calculated Property
IE	9.09	eV	Relay (1.0) Calculated Property
log10WS	-6.17		Relay (1.0) Calculated Property
logPoct/wat	5.851		Crippen Calculated Property
McVol	321.380	ml/mol	McGowan Calculated Property
Pc	1094.27	kPa	Joback Calculated Property
Inp	[2588.00; 2588.00]
Inp	2588.00		NIST
Inp	2588.00		NIST
Tboil	657.85	K	Relay (1.0) Calculated Property
Tc	847.64	K	Relay (1.0) Calculated Property
Tfus	341.67	K	Relay (1.0) Calculated Property
Vc	1.200	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1032.56; 1114.97]	J/mol×K	[871.60; 1068.71]
Cp,gas	1032.56	J/mol×K	871.60	Joback Calculated Property
Cp,gas	1048.76	J/mol×K	904.45	Joback Calculated Property
Cp,gas	1063.88	J/mol×K	937.30	Joback Calculated Property
Cp,gas	1078.00	J/mol×K	970.16	Joback Calculated Property
Cp,gas	1091.18	J/mol×K	1003.01	Joback Calculated Property
Cp,gas	1103.48	J/mol×K	1035.86	Joback Calculated Property
Cp,gas	1114.97	J/mol×K	1068.71	Joback Calculated Property

Similar Compounds

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

Sources

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

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