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

InChI

InChI=1S/C19H23F5O4/c1-3-4-5-6-10-27-12(25)8-7-9-13(26)28-11(2)14-15(20)17(22)19(24)18(23)16(14)21/h11H,3-10H2,1-2H3

InChI Key

QYROSCFOAVAICX-UHFFFAOYSA-N

Formula

C19H23F5O4

SMILES

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

Molecular Weight¹

410.38

• 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°	-1270.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-1731.74	kJ/mol	Joback Calculated Property
ΔfusH°	54.51	kJ/mol	Joback Calculated Property
ΔvapH°	77.31	kJ/mol	Joback Calculated Property
log10WS	-6.72		Crippen Calculated Property
logPoct/wat	5.280		Crippen Calculated Property
McVol	278.540	ml/mol	McGowan Calculated Property
Pc	1180.09	kPa	Joback Calculated Property
Inp	[2124.00; 2124.00]
Inp	2124.00		NIST
Inp	2124.00		NIST
Tboil	834.19	K	Joback Calculated Property
Tc	1022.89	K	Joback Calculated Property
Tfus	525.18	K	Joback Calculated Property
Vc	1.123	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[853.81; 923.35]	J/mol×K	[834.19; 1022.89]
Cp,gas	853.81	J/mol×K	834.19	Joback Calculated Property
Cp,gas	867.81	J/mol×K	865.64	Joback Calculated Property
Cp,gas	880.85	J/mol×K	897.09	Joback Calculated Property
Cp,gas	892.92	J/mol×K	928.54	Joback Calculated Property
Cp,gas	904.02	J/mol×K	959.99	Joback Calculated Property
Cp,gas	914.16	J/mol×K	991.44	Joback Calculated Property
Cp,gas	923.35	J/mol×K	1022.89	Joback Calculated Property

Similar Compounds

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

Sources

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

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