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

InChI

InChI=1S/C17H19F5O4/c1-3-4-8-25-10(23)6-5-7-11(24)26-9(2)12-13(18)15(20)17(22)16(21)14(12)19/h9H,3-8H2,1-2H3

InChI Key

MHDDVPYKKMQGNY-UHFFFAOYSA-N

Formula

C17H19F5O4

SMILES

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

Molecular Weight¹

382.32

• 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°	-1287.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-1690.46	kJ/mol	Joback Calculated Property
ΔfusH°	49.33	kJ/mol	Joback Calculated Property
ΔvapH°	72.86	kJ/mol	Joback Calculated Property
log10WS	-5.88		Crippen Calculated Property
logPoct/wat	4.500		Crippen Calculated Property
McVol	250.360	ml/mol	McGowan Calculated Property
Pc	1352.64	kPa	Joback Calculated Property
Inp	[1925.00; 1925.00]
Inp	1925.00		NIST
Inp	1925.00		NIST
Tboil	788.43	K	Joback Calculated Property
Tc	971.70	K	Joback Calculated Property
Tfus	502.64	K	Joback Calculated Property
Vc	1.012	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[739.67; 806.00]	J/mol×K	[788.43; 971.70]
Cp,gas	739.67	J/mol×K	788.43	Joback Calculated Property
Cp,gas	752.80	J/mol×K	818.98	Joback Calculated Property
Cp,gas	765.09	J/mol×K	849.52	Joback Calculated Property
Cp,gas	776.56	J/mol×K	880.07	Joback Calculated Property
Cp,gas	787.21	J/mol×K	910.61	Joback Calculated Property
Cp,gas	797.02	J/mol×K	941.16	Joback Calculated Property
Cp,gas	806.00	J/mol×K	971.70	Joback Calculated Property

Similar Compounds

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

Sources

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

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