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

InChI

InChI=1S/C14H16F3NO3/c1-3-8-21-12(19)9-18(2)13(20)10-4-6-11(7-5-10)14(15,16)17/h4-7H,3,8-9H2,1-2H3

InChI Key

YVHRYRDGDCAZNV-UHFFFAOYSA-N

Formula

C14H16F3NO3

SMILES

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

Molecular Weight¹

303.28

• 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).
• 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
ΔfG°	-663.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-994.16	kJ/mol	Joback Calculated Property
ΔfusH°	34.90	kJ/mol	Joback Calculated Property
ΔvapH°	63.89	kJ/mol	Joback Calculated Property
log10WS	-3.26		Crippen Calculated Property
logPoct/wat	2.731		Crippen Calculated Property
McVol	208.660	ml/mol	McGowan Calculated Property
Pc	1966.56	kPa	Joback Calculated Property
Inp	[1810.00; 1810.00]
Inp	1810.00		NIST
Inp	1810.00		NIST
Tboil	688.56	K	Joback Calculated Property
Tc	880.48	K	Joback Calculated Property
Tfus	445.23	K	Joback Calculated Property
Vc	0.802	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[578.93; 647.56]	J/mol×K	[688.56; 880.48]
Cp,gas	578.93	J/mol×K	688.56	Joback Calculated Property
Cp,gas	592.46	J/mol×K	720.55	Joback Calculated Property
Cp,gas	605.10	J/mol×K	752.53	Joback Calculated Property
Cp,gas	616.88	J/mol×K	784.52	Joback Calculated Property
Cp,gas	627.86	J/mol×K	816.51	Joback Calculated Property
Cp,gas	638.07	J/mol×K	848.50	Joback Calculated Property
Cp,gas	647.56	J/mol×K	880.48	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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