Chemical Properties of Glutaric acid, ethyl 4-(trifluoromethoxy)benzyl ester

InChI

InChI=1S/C15H17F3O5/c1-2-21-13(19)4-3-5-14(20)22-10-11-6-8-12(9-7-11)23-15(16,17)18/h6-9H,2-5,10H2,1H3

InChI Key

UVUZVVVQXNVHIQ-UHFFFAOYSA-N

Formula

C15H17F3O5

SMILES

CCOC(=O)CCCC(=O)OCc1ccc(OC(F)(F)F)cc1

Molecular Weight¹

334.29

• 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	0.8237		Relay (1.0) Calculated Property
ΔfG°	-976.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-1529.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.85	kJ/mol	Joback Calculated Property
ΔvapH°	83.81	kJ/mol	Relay (1.0) Calculated Property
IE	8.97	eV	Relay (1.0) Calculated Property
log10WS	-3.82		Relay (1.0) Calculated Property
logPoct/wat	3.362		Crippen Calculated Property
McVol	224.510	ml/mol	McGowan Calculated Property
Pc	1760.97	kPa	Joback Calculated Property
Inp	[1881.00; 1881.00]
Inp	1881.00		NIST
Inp	1881.00		NIST
Tboil	581.71	K	Relay (1.0) Calculated Property
Tc	730.79	K	Relay (1.0) Calculated Property
Tfus	266.13	K	Relay (1.0) Calculated Property
Vc	0.838	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[646.43; 712.29]	J/mol×K	[743.84; 935.11]
Cp,gas	646.43	J/mol×K	743.84	Joback Calculated Property
Cp,gas	659.56	J/mol×K	775.72	Joback Calculated Property
Cp,gas	671.82	J/mol×K	807.60	Joback Calculated Property
Cp,gas	683.20	J/mol×K	839.47	Joback Calculated Property
Cp,gas	693.73	J/mol×K	871.35	Joback Calculated Property
Cp,gas	703.42	J/mol×K	903.23	Joback Calculated Property
Cp,gas	712.29	J/mol×K	935.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, ethyl 4-(trifluoromethoxy)benzyl ester.

Sources

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

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