Chemical Properties of Glutaric acid, naphth-2-ylmethyl 2,2,3,4,4,4-hexafluorobutyl ester

InChI

InChI=1S/C20H18F6O4/c21-18(20(24,25)26)19(22,23)12-30-17(28)7-3-6-16(27)29-11-13-8-9-14-4-1-2-5-15(14)10-13/h1-2,4-5,8-10,18H,3,6-7,11-12H2

InChI Key

KNQHWAHMXAGPMD-UHFFFAOYSA-N

Formula

C20H18F6O4

SMILES

O=C(CCCC(=O)OCC(F)(F)C(F)C(F)(F)F)OCc1ccc2ccccc2c1

Molecular Weight¹

436.34

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8984		Relay (1.0) Calculated Property
ΔfG°	-1306.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-1900.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.93	kJ/mol	Joback Calculated Property
ΔvapH°	106.83	kJ/mol	Relay (1.0) Calculated Property
IE	8.42	eV	Relay (1.0) Calculated Property
log10WS	-5.93		Relay (1.0) Calculated Property
logPoct/wat	5.132		Crippen Calculated Property
McVol	274.940	ml/mol	McGowan Calculated Property
Pc	1362.64	kPa	Joback Calculated Property
Inp	[2445.00; 2445.00]
Inp	2445.00		NIST
Inp	2445.00		NIST
Tboil	679.01	K	Relay (1.0) Calculated Property
Tc	855.05	K	Relay (1.0) Calculated Property
Tfus	324.83	K	Relay (1.0) Calculated Property
Vc	0.999	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[850.02; 912.50]	J/mol×K	[848.94; 1047.90]
Cp,gas	850.02	J/mol×K	848.94	Joback Calculated Property
Cp,gas	862.39	J/mol×K	882.10	Joback Calculated Property
Cp,gas	873.88	J/mol×K	915.26	Joback Calculated Property
Cp,gas	884.56	J/mol×K	948.42	Joback Calculated Property
Cp,gas	894.50	J/mol×K	981.58	Joback Calculated Property
Cp,gas	903.79	J/mol×K	1014.74	Joback Calculated Property
Cp,gas	912.50	J/mol×K	1047.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, naphth-2-ylmethyl 2,2,3,4,4,4-hexafluorobutyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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