Chemical Properties of Glutaric acid, naphth-2-ylmethyl pentafluorobenzyl ester

InChI

InChI=1S/C23H17F5O4/c24-19-16(20(25)22(27)23(28)21(19)26)12-32-18(30)7-3-6-17(29)31-11-13-8-9-14-4-1-2-5-15(14)10-13/h1-2,4-5,8-10H,3,6-7,11-12H2

InChI Key

ULALZRLFPGPQBB-UHFFFAOYSA-N

Formula

C23H17F5O4

SMILES

O=C(CCCC(=O)OCc1c(F)c(F)c(F)c(F)c1F)OCc1ccc2ccccc2c1

Molecular Weight¹

452.37

• 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°	-1025.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-1392.89	kJ/mol	Joback Calculated Property
ΔfusH°	59.07	kJ/mol	Joback Calculated Property
ΔvapH°	91.18	kJ/mol	Joback Calculated Property
log10WS	-8.16		Crippen Calculated Property
logPoct/wat	5.492		Crippen Calculated Property
McVol	291.680	ml/mol	McGowan Calculated Property
Pc	1330.04	kPa	Joback Calculated Property
Inp	[2929.00; 2929.00]
Inp	2929.00		NIST
Inp	2929.00		NIST
Tboil	976.79	K	Joback Calculated Property
Tc	1197.85	K	Joback Calculated Property
Tfus	656.90	K	Joback Calculated Property
Vc	1.167	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[903.29; 952.62]	J/mol×K	[976.79; 1197.85]
Cp,gas	903.29	J/mol×K	976.79	Joback Calculated Property
Cp,gas	914.11	J/mol×K	1013.63	Joback Calculated Property
Cp,gas	923.83	J/mol×K	1050.48	Joback Calculated Property
Cp,gas	932.50	J/mol×K	1087.32	Joback Calculated Property
Cp,gas	940.16	J/mol×K	1124.16	Joback Calculated Property
Cp,gas	946.85	J/mol×K	1161.01	Joback Calculated Property
Cp,gas	952.62	J/mol×K	1197.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, naphth-2-ylmethyl pentafluorobenzyl ester.

Sources

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

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