Chemical Properties of Glutaric acid, ethyl 1-(pentafluorophenyl)ethyl ester

InChI

InChI=1S/C15H15F5O4/c1-3-23-8(21)5-4-6-9(22)24-7(2)10-11(16)13(18)15(20)14(19)12(10)17/h7H,3-6H2,1-2H3

InChI Key

UGJUTYGNPIPJOY-UHFFFAOYSA-N

Formula

C15H15F5O4

SMILES

CCOC(=O)CCCC(=O)OC(C)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

354.27

• 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°	-1304.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-1649.18	kJ/mol	Joback Calculated Property
ΔfusH°	44.15	kJ/mol	Joback Calculated Property
ΔvapH°	68.41	kJ/mol	Joback Calculated Property
log10WS	-5.05		Crippen Calculated Property
logPoct/wat	3.720		Crippen Calculated Property
McVol	222.180	ml/mol	McGowan Calculated Property
Pc	1565.99	kPa	Joback Calculated Property
Inp	[1747.00; 1747.00]
Inp	1747.00		NIST
Inp	1747.00		NIST
Tboil	742.67	K	Joback Calculated Property
Tc	923.26	K	Joback Calculated Property
Tfus	480.10	K	Joback Calculated Property
Vc	0.899	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[629.44; 691.78]	J/mol×K	[742.67; 923.26]
Cp,gas	629.44	J/mol×K	742.67	Joback Calculated Property
Cp,gas	641.60	J/mol×K	772.77	Joback Calculated Property
Cp,gas	653.07	J/mol×K	802.87	Joback Calculated Property
Cp,gas	663.82	J/mol×K	832.97	Joback Calculated Property
Cp,gas	673.86	J/mol×K	863.07	Joback Calculated Property
Cp,gas	683.18	J/mol×K	893.16	Joback Calculated Property
Cp,gas	691.78	J/mol×K	923.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, ethyl 1-(pentafluorophenyl)ethyl ester.

Sources

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

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