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

InChI

InChI=1S/C19H25F3O5/c1-2-3-4-5-13-25-17(23)7-6-8-18(24)26-14-15-9-11-16(12-10-15)27-19(20,21)22/h9-12H,2-8,13-14H2,1H3

InChI Key

GWJCDDDCJWAKQS-UHFFFAOYSA-N

Formula

C19H25F3O5

SMILES

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

Molecular Weight¹

390.39

• 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°	-942.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-1429.33	kJ/mol	Joback Calculated Property
ΔfusH°	47.21	kJ/mol	Joback Calculated Property
ΔvapH°	77.80	kJ/mol	Joback Calculated Property
log10WS	-5.96		Crippen Calculated Property
logPoct/wat	4.922		Crippen Calculated Property
McVol	280.870	ml/mol	McGowan Calculated Property
Pc	1306.12	kPa	Joback Calculated Property
Inp	[2278.00; 2278.00]
Inp	2278.00		NIST
Inp	2278.00		NIST
Tboil	835.36	K	Joback Calculated Property
Tc	1028.98	K	Joback Calculated Property
Tfus	513.57	K	Joback Calculated Property
Vc	1.101	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[871.48; 942.58]	J/mol×K	[835.36; 1028.98]
Cp,gas	871.48	J/mol×K	835.36	Joback Calculated Property
Cp,gas	885.89	J/mol×K	867.63	Joback Calculated Property
Cp,gas	899.25	J/mol×K	899.90	Joback Calculated Property
Cp,gas	911.57	J/mol×K	932.17	Joback Calculated Property
Cp,gas	922.88	J/mol×K	964.44	Joback Calculated Property
Cp,gas	933.21	J/mol×K	996.71	Joback Calculated Property
Cp,gas	942.58	J/mol×K	1028.98	Joback Calculated Property

Similar Compounds

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

Sources

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

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