Chemical Properties of Glutaric acid, monoamide, N-(3,5-di(trifluoromethyl)benzyl)-, ethyl ester

InChI

InChI=1S/C16H17F6NO3/c1-2-26-14(25)5-3-4-13(24)23-9-10-6-11(15(17,18)19)8-12(7-10)16(20,21)22/h6-8H,2-5,9H2,1H3,(H,23,24)

InChI Key

XCZHWFWGIGFURX-UHFFFAOYSA-N

Formula

C16H17F6NO3

SMILES

CCOC(=O)CCCC(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

Molecular Weight¹

385.30

• 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	0.8226		Relay (1.0) Calculated Property
ΔfG°	-1259.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-1832.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.60	kJ/mol	Joback Calculated Property
ΔvapH°	95.55	kJ/mol	Relay (1.0) Calculated Property
IE	9.14	eV	Relay (1.0) Calculated Property
log10WS	-4.74		Relay (1.0) Calculated Property
logPoct/wat	4.074		Crippen Calculated Property
McVol	242.150	ml/mol	McGowan Calculated Property
Pc	1522.31	kPa	Joback Calculated Property
Inp	[1954.00; 1954.00]
Inp	1954.00		NIST
Inp	1954.00		NIST
Tboil	596.36	K	Relay (1.0) Calculated Property
Tc	815.85	K	Relay (1.0) Calculated Property
Tfus	384.75	K	Relay (1.0) Calculated Property
Vc	0.902	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[725.79; 788.07]	J/mol×K	[771.61; 957.37]
Cp,gas	725.79	J/mol×K	771.61	Joback Calculated Property
Cp,gas	738.10	J/mol×K	802.57	Joback Calculated Property
Cp,gas	749.57	J/mol×K	833.53	Joback Calculated Property
Cp,gas	760.26	J/mol×K	864.49	Joback Calculated Property
Cp,gas	770.21	J/mol×K	895.45	Joback Calculated Property
Cp,gas	779.46	J/mol×K	926.41	Joback Calculated Property
Cp,gas	788.07	J/mol×K	957.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monoamide, N-(3,5-di(trifluoromethyl)benzyl)-, ethyl ester.

Sources

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

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