Chemical Properties of Glutaric acid, butyl 2,3,4,5-tetrafluorobenzyl ester

InChI

InChI=1S/C16H18F4O4/c1-2-3-7-23-12(21)5-4-6-13(22)24-9-10-8-11(17)15(19)16(20)14(10)18/h8H,2-7,9H2,1H3

InChI Key

MYOXPXZPGKFOHF-UHFFFAOYSA-N

Formula

C16H18F4O4

SMILES

CCCCOC(=O)CCCC(=O)OCc1cc(F)c(F)c(F)c1F

Molecular Weight¹

350.31

• 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°	-1089.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-1456.96	kJ/mol	Joback Calculated Property
ΔfusH°	47.57	kJ/mol	Joback Calculated Property
ΔvapH°	71.18	kJ/mol	Joback Calculated Property
log10WS	-5.17		Crippen Calculated Property
logPoct/wat	3.800		Crippen Calculated Property
McVol	234.500	ml/mol	McGowan Calculated Property
Pc	1512.85	kPa	Joback Calculated Property
Inp	[2034.00; 2034.00]
Inp	2034.00		NIST
Inp	2034.00		NIST
Tboil	761.74	K	Joback Calculated Property
Tc	944.71	K	Joback Calculated Property
Tfus	493.26	K	Joback Calculated Property
Vc	0.944	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[676.72; 742.90]	J/mol×K	[761.74; 944.71]
Cp,gas	676.72	J/mol×K	761.74	Joback Calculated Property
Cp,gas	689.69	J/mol×K	792.24	Joback Calculated Property
Cp,gas	701.88	J/mol×K	822.73	Joback Calculated Property
Cp,gas	713.30	J/mol×K	853.23	Joback Calculated Property
Cp,gas	723.94	J/mol×K	883.72	Joback Calculated Property
Cp,gas	733.81	J/mol×K	914.22	Joback Calculated Property
Cp,gas	742.90	J/mol×K	944.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, butyl 2,3,4,5-tetrafluorobenzyl ester.

Sources

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

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