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

InChI

InChI=1S/C15H18F3NO3/c1-10(2)9-22-13(20)8-19(3)14(21)11-4-6-12(7-5-11)15(16,17)18/h4-7,10H,8-9H2,1-3H3

InChI Key

UIRNOCRCQIEJJH-UHFFFAOYSA-N

Formula

C15H18F3NO3

SMILES

CC(C)COC(=O)CN(C)C(=O)c1ccc(C(F)(F)F)cc1

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	0.7214		Relay (1.0) Calculated Property
ΔfG°	-657.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-1176.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.97	kJ/mol	Joback Calculated Property
ΔvapH°	79.67	kJ/mol	Relay (1.0) Calculated Property
IE	9.24	eV	Relay (1.0) Calculated Property
log10WS	-3.70		Relay (1.0) Calculated Property
logPoct/wat	2.977		Crippen Calculated Property
McVol	222.750	ml/mol	McGowan Calculated Property
Pc	1821.61	kPa	Joback Calculated Property
Inp	[1860.00; 1860.00]
Inp	1860.00		NIST
Inp	1860.00		NIST
Tboil	594.45	K	Relay (1.0) Calculated Property
Tc	775.56	K	Relay (1.0) Calculated Property
Tfus	352.89	K	Relay (1.0) Calculated Property
Vc	0.819	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[632.66; 704.19]	J/mol×K	[711.00; 904.33]
Cp,gas	632.66	J/mol×K	711.00	Joback Calculated Property
Cp,gas	646.78	J/mol×K	743.22	Joback Calculated Property
Cp,gas	659.97	J/mol×K	775.44	Joback Calculated Property
Cp,gas	672.26	J/mol×K	807.67	Joback Calculated Property
Cp,gas	683.69	J/mol×K	839.89	Joback Calculated Property
Cp,gas	694.32	J/mol×K	872.11	Joback Calculated Property
Cp,gas	704.19	J/mol×K	904.33	Joback Calculated Property

Similar Compounds

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

Sources

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

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