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

InChI

InChI=1S/C15H18F3NO3/c1-3-4-9-22-13(20)10-19(2)14(21)11-7-5-6-8-12(11)15(16,17)18/h5-8H,3-4,9-10H2,1-2H3

InChI Key

NIKXWMALAQVBGD-UHFFFAOYSA-N

Formula

C15H18F3NO3

SMILES

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

Molecular Weight¹

317.30

• 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	0.7454		Relay (1.0) Calculated Property
ΔfG°	-655.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-1150.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.49	kJ/mol	Joback Calculated Property
ΔvapH°	80.17	kJ/mol	Relay (1.0) Calculated Property
IE	9.03	eV	Relay (1.0) Calculated Property
log10WS	-3.40		Relay (1.0) Calculated Property
logPoct/wat	3.121		Crippen Calculated Property
McVol	222.750	ml/mol	McGowan Calculated Property
Pc	1809.23	kPa	Joback Calculated Property
Inp	[1938.00; 1938.00]
Inp	1938.00		NIST
Inp	1938.00		NIST
Tboil	590.43	K	Relay (1.0) Calculated Property
Tc	777.75	K	Relay (1.0) Calculated Property
Tfus	305.83	K	Relay (1.0) Calculated Property
Vc	0.820	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[632.13; 702.82]	J/mol×K	[711.44; 902.02]
Cp,gas	632.13	J/mol×K	711.44	Joback Calculated Property
Cp,gas	646.03	J/mol×K	743.20	Joback Calculated Property
Cp,gas	659.03	J/mol×K	774.97	Joback Calculated Property
Cp,gas	671.16	J/mol×K	806.73	Joback Calculated Property
Cp,gas	682.48	J/mol×K	838.49	Joback Calculated Property
Cp,gas	693.01	J/mol×K	870.26	Joback Calculated Property
Cp,gas	702.82	J/mol×K	902.02	Joback Calculated Property

Similar Compounds

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

Sources

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

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