Chemical Properties of Glutaric acid, 2-methylhex-3-yl 1-(pentafluorophenyl)ethyl ester

InChI

InChI=1S/C20H25F5O4/c1-5-7-12(10(2)3)29-14(27)9-6-8-13(26)28-11(4)15-16(21)18(23)20(25)19(24)17(15)22/h10-12H,5-9H2,1-4H3

InChI Key

IKIZOJQVHHHMPO-UHFFFAOYSA-N

Formula

C20H25F5O4

SMILES

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

Molecular Weight¹

424.40

• 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°	-1267.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-1762.94	kJ/mol	Joback Calculated Property
ΔfusH°	50.06	kJ/mol	Joback Calculated Property
ΔvapH°	78.76	kJ/mol	Joback Calculated Property
log10WS	-7.01		Crippen Calculated Property
logPoct/wat	5.524		Crippen Calculated Property
McVol	292.630	ml/mol	McGowan Calculated Property
Pc	1117.81	kPa	Joback Calculated Property
Inp	[2080.00; 2080.00]
Inp	2080.00		NIST
Inp	2080.00		NIST
Tboil	856.19	K	Joback Calculated Property
Tc	1049.49	K	Joback Calculated Property
Tfus	506.45	K	Joback Calculated Property
Vc	1.167	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[913.18; 983.85]	J/mol×K	[856.19; 1049.49]
Cp,gas	913.18	J/mol×K	856.19	Joback Calculated Property
Cp,gas	927.65	J/mol×K	888.41	Joback Calculated Property
Cp,gas	941.03	J/mol×K	920.62	Joback Calculated Property
Cp,gas	953.34	J/mol×K	952.84	Joback Calculated Property
Cp,gas	964.58	J/mol×K	985.06	Joback Calculated Property
Cp,gas	974.75	J/mol×K	1017.27	Joback Calculated Property
Cp,gas	983.85	J/mol×K	1049.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-methylhex-3-yl 1-(pentafluorophenyl)ethyl ester.

Sources

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

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