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

InChI

InChI=1S/C18H23F3O5/c1-2-3-4-12-24-16(22)6-5-7-17(23)25-13-14-8-10-15(11-9-14)26-18(19,20)21/h8-11H,2-7,12-13H2,1H3

InChI Key

GLXZJUKYILADCS-UHFFFAOYSA-N

Formula

C18H23F3O5

SMILES

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

Molecular Weight¹

376.37

• 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	0.9488		Relay (1.0) Calculated Property
ΔfG°	-950.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-1589.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.62	kJ/mol	Joback Calculated Property
ΔvapH°	88.93	kJ/mol	Relay (1.0) Calculated Property
IE	8.96	eV	Relay (1.0) Calculated Property
log10WS	-4.97		Relay (1.0) Calculated Property
logPoct/wat	4.532		Crippen Calculated Property
McVol	266.780	ml/mol	McGowan Calculated Property
Pc	1401.69	kPa	Joback Calculated Property
Inp	[2180.00; 2180.00]
Inp	2180.00		NIST
Inp	2180.00		NIST
Tboil	615.66	K	Relay (1.0) Calculated Property
Tc	756.83	K	Relay (1.0) Calculated Property
Tfus	260.04	K	Relay (1.0) Calculated Property
Vc	0.996	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[813.86; 883.88]	J/mol×K	[812.48; 1004.53]
Cp,gas	813.86	J/mol×K	812.48	Joback Calculated Property
Cp,gas	827.98	J/mol×K	844.49	Joback Calculated Property
Cp,gas	841.09	J/mol×K	876.50	Joback Calculated Property
Cp,gas	853.21	J/mol×K	908.51	Joback Calculated Property
Cp,gas	864.37	J/mol×K	940.52	Joback Calculated Property
Cp,gas	874.59	J/mol×K	972.52	Joback Calculated Property
Cp,gas	883.88	J/mol×K	1004.53	Joback Calculated Property

Similar Compounds

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

Sources

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

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