Chemical Properties of Glutaric acid, isobutyl pentafluorobenzyl ester

InChI

InChI=1S/C16H17F5O4/c1-8(2)6-24-10(22)4-3-5-11(23)25-7-9-12(17)14(19)16(21)15(20)13(9)18/h8H,3-7H2,1-2H3

InChI Key

CJNAGPFAZANGLN-UHFFFAOYSA-N

Formula

C16H17F5O4

SMILES

CC(C)COC(=O)CCCC(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

368.30

• 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	0.8571		Relay (1.0) Calculated Property
ΔfG°	-1296.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-1570.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.74	kJ/mol	Joback Calculated Property
ΔvapH°	83.96	kJ/mol	Relay (1.0) Calculated Property
IE	9.31	eV	Relay (1.0) Calculated Property
log10WS	-5.84		Relay (1.0) Calculated Property
logPoct/wat	3.795		Crippen Calculated Property
McVol	236.270	ml/mol	McGowan Calculated Property
Pc	1453.46	kPa	Joback Calculated Property
Inp	[1915.00; 1915.00]
Inp	1915.00		NIST
Inp	1915.00		NIST
Tboil	581.19	K	Relay (1.0) Calculated Property
Tc	747.59	K	Relay (1.0) Calculated Property
Tfus	311.79	K	Relay (1.0) Calculated Property
Vc	0.891	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[684.02; 748.47]	J/mol×K	[765.55; 947.17]
Cp,gas	684.02	J/mol×K	765.55	Joback Calculated Property
Cp,gas	696.68	J/mol×K	795.82	Joback Calculated Property
Cp,gas	708.58	J/mol×K	826.09	Joback Calculated Property
Cp,gas	719.71	J/mol×K	856.36	Joback Calculated Property
Cp,gas	730.07	J/mol×K	886.63	Joback Calculated Property
Cp,gas	739.66	J/mol×K	916.90	Joback Calculated Property
Cp,gas	748.47	J/mol×K	947.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, isobutyl pentafluorobenzyl ester.

Sources

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

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