Chemical Properties of Glycine, 2-cyclohexyl-N-(2,3,4-trifluorobenzoyl)-, butyl ester

InChI

InChI=1S/C19H24F3NO3/c1-2-3-11-26-19(25)17(12-7-5-4-6-8-12)23-18(24)13-9-10-14(20)16(22)15(13)21/h9-10,12,17H,2-8,11H2,1H3,(H,23,24)

InChI Key

NSLTZIGRKJXRMU-UHFFFAOYSA-N

Formula

C19H24F3NO3

SMILES

CCCCOC(=O)C(NC(=O)c1ccc(F)c(F)c1F)C1CCCCC1

Molecular Weight¹

371.39

• 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	0.7992		Relay (1.0) Calculated Property
ΔfG°	-643.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-1104.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.88	kJ/mol	Joback Calculated Property
ΔvapH°	101.10	kJ/mol	Relay (1.0) Calculated Property
IE	8.87	eV	Relay (1.0) Calculated Property
log10WS	-5.86		Relay (1.0) Calculated Property
logPoct/wat	4.126		Crippen Calculated Property
McVol	268.250	ml/mol	McGowan Calculated Property
Pc	1530.66	kPa	Joback Calculated Property
Inp	[2323.00; 2323.00]
Inp	2323.00		NIST
Inp	2323.00		NIST
Tboil	645.19	K	Relay (1.0) Calculated Property
Tc	867.71	K	Relay (1.0) Calculated Property
Tfus	353.89	K	Relay (1.0) Calculated Property
Vc	0.948	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[864.37; 934.85]	J/mol×K	[872.99; 1083.10]
Cp,gas	864.37	J/mol×K	872.99	Joback Calculated Property
Cp,gas	879.20	J/mol×K	908.01	Joback Calculated Property
Cp,gas	892.76	J/mol×K	943.03	Joback Calculated Property
Cp,gas	905.07	J/mol×K	978.04	Joback Calculated Property
Cp,gas	916.16	J/mol×K	1013.06	Joback Calculated Property
Cp,gas	926.08	J/mol×K	1048.08	Joback Calculated Property
Cp,gas	934.85	J/mol×K	1083.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glycine, 2-cyclohexyl-N-(2,3,4-trifluorobenzoyl)-, butyl ester.

Sources

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

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