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

InChI

InChI=1S/C19H16F6O4/c20-17(19(23,24)25)18(21,22)11-29-16(27)8-7-15(26)28-10-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,17H,7-8,10-11H2

InChI Key

XMZFDZHTPKKLRV-UHFFFAOYSA-N

Formula

C19H16F6O4

SMILES

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

Molecular Weight¹

422.32

• 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	0.8527		Relay (1.0) Calculated Property
ΔfG°	-1314.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-1878.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.34	kJ/mol	Joback Calculated Property
ΔvapH°	104.02	kJ/mol	Relay (1.0) Calculated Property
IE	8.49	eV	Relay (1.0) Calculated Property
log10WS	-5.86		Relay (1.0) Calculated Property
logPoct/wat	4.742		Crippen Calculated Property
McVol	260.850	ml/mol	McGowan Calculated Property
Pc	1464.61	kPa	Joback Calculated Property
Inp	[2413.00; 2413.00]
Inp	2413.00		NIST
Inp	2413.00		NIST
Tboil	664.43	K	Relay (1.0) Calculated Property
Tc	845.84	K	Relay (1.0) Calculated Property
Tfus	326.17	K	Relay (1.0) Calculated Property
Vc	0.947	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[793.77; 854.17]	J/mol×K	[826.06; 1024.02]
Cp,gas	793.77	J/mol×K	826.06	Joback Calculated Property
Cp,gas	805.79	J/mol×K	859.05	Joback Calculated Property
Cp,gas	816.94	J/mol×K	892.05	Joback Calculated Property
Cp,gas	827.27	J/mol×K	925.04	Joback Calculated Property
Cp,gas	836.87	J/mol×K	958.03	Joback Calculated Property
Cp,gas	845.82	J/mol×K	991.02	Joback Calculated Property
Cp,gas	854.17	J/mol×K	1024.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic 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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