Chemical Properties of Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-isopropoxyphenyl ester

InChI

InChI=1S/C18H18F8O5/c1-10(2)30-11-5-3-4-6-12(11)31-14(28)8-7-13(27)29-9-16(21,22)18(25,26)17(23,24)15(19)20/h3-6,10,15H,7-9H2,1-2H3

InChI Key

TXDRSTGFOJNVIM-UHFFFAOYSA-N

Formula

C18H18F8O5

SMILES

CC(C)Oc1ccccc1OC(=O)CCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

466.32

• 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	0.9042		Relay (... Calculated Property
ΔfG°	-1924.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-2513.77	kJ/mol	Relay (... Calculated Property
ΔfusH°	38.14	kJ/mol	Joback Calculated Property
ΔvapH°	94.15	kJ/mol	Relay (... Calculated Property
IE	8.85	eV	Relay (... Calculated Property
log10WS	-5.59		Relay (... Calculated Property
logPoct/wat	4.874		Crippen Calculated Property
McVol	275.630	ml/mol	McGowan Calculated Property
Pc	1238.09	kPa	Joback Calculated Property
Inp	[1980.00; 1980.00]
Inp	1980.00		NIST
Inp	1980.00		NIST
Tboil	602.22	K	Relay (... Calculated Property
Tc	774.77	K	Relay (... Calculated Property
Tfus	338.07	K	Relay (... Calculated Property
Vc	1.034	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[855.77; 918.62]	J/mol×K	[801.49; 986.85]
Cp,gas	855.77	J/mol×K	801.49	Joback Calculated Property
Cp,gas	868.47	J/mol×K	832.38	Joback Calculated Property
Cp,gas	880.22	J/mol×K	863.28	Joback Calculated Property
Cp,gas	891.05	J/mol×K	894.17	Joback Calculated Property
Cp,gas	901.03	J/mol×K	925.06	Joback Calculated Property
Cp,gas	910.21	J/mol×K	955.96	Joback Calculated Property
Cp,gas	918.62	J/mol×K	986.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-isopropoxyphenyl ester.

Sources

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

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