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

InChI

InChI=1S/C17H21F3O5/c1-2-3-11-23-15(21)5-4-6-16(22)24-12-13-7-9-14(10-8-13)25-17(18,19)20/h7-10H,2-6,11-12H2,1H3

InChI Key

DKMDXPOWUILCRO-UHFFFAOYSA-N

Formula

C17H21F3O5

SMILES

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

Molecular Weight¹

362.34

• 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°	-959.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-1388.05	kJ/mol	Joback Calculated Property
ΔfusH°	42.03	kJ/mol	Joback Calculated Property
ΔvapH°	73.35	kJ/mol	Joback Calculated Property
log10WS	-5.12		Crippen Calculated Property
logPoct/wat	4.142		Crippen Calculated Property
McVol	252.690	ml/mol	McGowan Calculated Property
Pc	1508.15	kPa	Joback Calculated Property
Inp	[2079.00; 2079.00]
Inp	2079.00		NIST
Inp	2079.00		NIST
Tboil	789.60	K	Joback Calculated Property
Tc	980.78	K	Joback Calculated Property
Tfus	491.03	K	Joback Calculated Property
Vc	0.989	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[757.10; 825.91]	J/mol×K	[789.60; 980.78]
Cp,gas	757.10	J/mol×K	789.60	Joback Calculated Property
Cp,gas	770.91	J/mol×K	821.46	Joback Calculated Property
Cp,gas	783.76	J/mol×K	853.33	Joback Calculated Property
Cp,gas	795.66	J/mol×K	885.19	Joback Calculated Property
Cp,gas	806.64	J/mol×K	917.05	Joback Calculated Property
Cp,gas	816.72	J/mol×K	948.91	Joback Calculated Property
Cp,gas	825.91	J/mol×K	980.78	Joback Calculated Property

Similar Compounds

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

Sources

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

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