Chemical Properties of Sarcosine, N-(2-trifluoromethylbenzoyl)-, nonyl ester

InChI

InChI=1S/C20H28F3NO3/c1-3-4-5-6-7-8-11-14-27-18(25)15-24(2)19(26)16-12-9-10-13-17(16)20(21,22)23/h9-10,12-13H,3-8,11,14-15H2,1-2H3

InChI Key

KHENWTLTKXAMSH-UHFFFAOYSA-N

Formula

C20H28F3NO3

SMILES

CCCCCCCCCOC(=O)CN(C)C(=O)c1ccccc1C(F)(F)F

Molecular Weight¹

387.44

• 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	0.9494		Relay (1.0) Calculated Property
ΔfG°	-613.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-1249.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.44	kJ/mol	Joback Calculated Property
ΔvapH°	97.24	kJ/mol	Relay (1.0) Calculated Property
IE	8.97	eV	Relay (1.0) Calculated Property
log10WS	-5.34		Relay (1.0) Calculated Property
logPoct/wat	5.071		Crippen Calculated Property
McVol	293.200	ml/mol	McGowan Calculated Property
Pc	1247.73	kPa	Joback Calculated Property
Inp	[2437.00; 2437.00]
Inp	2437.00		NIST
Inp	2437.00		NIST
Tboil	637.96	K	Relay (1.0) Calculated Property
Tc	830.11	K	Relay (1.0) Calculated Property
Tfus	317.19	K	Relay (1.0) Calculated Property
Vc	1.091	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[913.80; 992.85]	J/mol×K	[825.84; 1017.72]
Cp,gas	913.80	J/mol×K	825.84	Joback Calculated Property
Cp,gas	929.30	J/mol×K	857.82	Joback Calculated Property
Cp,gas	943.80	J/mol×K	889.80	Joback Calculated Property
Cp,gas	957.35	J/mol×K	921.78	Joback Calculated Property
Cp,gas	970.00	J/mol×K	953.76	Joback Calculated Property
Cp,gas	981.82	J/mol×K	985.74	Joback Calculated Property
Cp,gas	992.85	J/mol×K	1017.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(2-trifluoromethylbenzoyl)-, nonyl ester.

Sources

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

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