Chemical Properties of Glutaric acid, 2-methylpent-3-yl 2,3,4-trifluorophenyl ester

InChI

InChI=1S/C17H21F3O4/c1-4-12(10(2)3)23-14(21)6-5-7-15(22)24-13-9-8-11(18)16(19)17(13)20/h8-10,12H,4-7H2,1-3H3

InChI Key

BRSXFVKPKIOKKL-UHFFFAOYSA-N

Formula

C17H21F3O4

SMILES

CCC(OC(=O)CCCC(=O)Oc1ccc(F)c(F)c1F)C(C)C

Molecular Weight¹

346.34

• 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°	-881.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-1280.58	kJ/mol	Joback Calculated Property
ΔfusH°	40.43	kJ/mol	Joback Calculated Property
ΔvapH°	72.78	kJ/mol	Joback Calculated Property
log10WS	-5.28		Crippen Calculated Property
logPoct/wat	4.157		Crippen Calculated Property
McVol	246.820	ml/mol	McGowan Calculated Property
Pc	1489.58	kPa	Joback Calculated Property
Inp	[1946.00; 1946.00]
Inp	1946.00		NIST
Inp	1946.00		NIST
Tboil	779.49	K	Joback Calculated Property
Tc	970.10	K	Joback Calculated Property
Tfus	461.42	K	Joback Calculated Property
Vc	0.970	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[726.75; 797.84]	J/mol×K	[779.49; 970.10]
Cp,gas	726.75	J/mol×K	779.49	Joback Calculated Property
Cp,gas	740.87	J/mol×K	811.26	Joback Calculated Property
Cp,gas	754.08	J/mol×K	843.03	Joback Calculated Property
Cp,gas	766.37	J/mol×K	874.80	Joback Calculated Property
Cp,gas	777.76	J/mol×K	906.57	Joback Calculated Property
Cp,gas	788.24	J/mol×K	938.33	Joback Calculated Property
Cp,gas	797.84	J/mol×K	970.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-methylpent-3-yl 2,3,4-trifluorophenyl ester.

Sources

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

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