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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1150.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.07	kJ/mol	Joback Calculated Property
ΔvapH°	81.19	kJ/mol	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	1747.74	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
Tfus	301.95	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[627.05; 698.67]	J/mol×K	[693.57; 881.93]
Cp,gas	627.05	J/mol×K	693.57	Joback Calculated Property
Cp,gas	641.22	J/mol×K	724.96	Joback Calculated Property
Cp,gas	654.44	J/mol×K	756.36	Joback Calculated Property
Cp,gas	666.75	J/mol×K	787.75	Joback Calculated Property
Cp,gas	678.20	J/mol×K	819.14	Joback Calculated Property
Cp,gas	688.82	J/mol×K	850.53	Joback Calculated Property
Cp,gas	698.67	J/mol×K	881.93	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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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