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

InChI

InChI=1S/C18H21F5O4/c1-4-11(9(2)3)27-13(25)7-5-6-12(24)26-8-10-14(19)16(21)18(23)17(22)15(10)20/h9,11H,4-8H2,1-3H3

InChI Key

URIIEMYFNQMNHZ-UHFFFAOYSA-N

Formula

C18H21F5O4

SMILES

CCC(OC(=O)CCCC(=O)OCc1c(F)c(F)c(F)c(F)c1F)C(C)C

Molecular Weight¹

396.35

• 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°	-1281.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-1716.38	kJ/mol	Joback Calculated Property
ΔfusH°	48.40	kJ/mol	Joback Calculated Property
ΔvapH°	74.70	kJ/mol	Joback Calculated Property
log10WS	-6.21		Crippen Calculated Property
logPoct/wat	4.573		Crippen Calculated Property
McVol	264.450	ml/mol	McGowan Calculated Property
Pc	1269.16	kPa	Joback Calculated Property
Inp	[1970.00; 1970.00]
Inp	1970.00		NIST
Inp	1970.00		NIST
Tboil	810.87	K	Joback Calculated Property
Tc	997.43	K	Joback Calculated Property
Tfus	498.91	K	Joback Calculated Property
Vc	1.062	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[796.84; 864.99]	J/mol×K	[810.87; 997.43]
Cp,gas	796.84	J/mol×K	810.87	Joback Calculated Property
Cp,gas	810.48	J/mol×K	841.96	Joback Calculated Property
Cp,gas	823.20	J/mol×K	873.06	Joback Calculated Property
Cp,gas	835.02	J/mol×K	904.15	Joback Calculated Property
Cp,gas	845.92	J/mol×K	935.24	Joback Calculated Property
Cp,gas	855.91	J/mol×K	966.33	Joback Calculated Property
Cp,gas	864.99	J/mol×K	997.43	Joback Calculated Property

Similar Compounds

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

Sources

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

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