Chemical Properties of Isophthalic acid, heptyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI

InChI=1S/C20H22F8O4/c1-2-3-4-5-6-10-31-15(29)13-8-7-9-14(11-13)16(30)32-12-18(23,24)20(27,28)19(25,26)17(21)22/h7-9,11,17H,2-6,10,12H2,1H3

InChI Key

ZKMSQZNUIRRCFL-UHFFFAOYSA-N

Formula

C20H22F8O4

SMILES

CCCCCCCOC(=O)c1cccc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1

Molecular Weight¹

478.37

• 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	1.0060		Relay (1.0) Calculated Property
ΔfG°	-1799.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-2409.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.66	kJ/mol	Joback Calculated Property
ΔvapH°	92.40	kJ/mol	Relay (1.0) Calculated Property
IE	9.72	eV	Relay (1.0) Calculated Property
log10WS	-7.48		Relay (1.0) Calculated Property
logPoct/wat	6.142		Crippen Calculated Property
McVol	297.940	ml/mol	McGowan Calculated Property
Pc	1092.82	kPa	Joback Calculated Property
Inp	[2191.00; 2191.00]
Inp	2191.00		NIST
Inp	2191.00		NIST
Tboil	635.12	K	Relay (1.0) Calculated Property
Tc	794.16	K	Relay (1.0) Calculated Property
Tfus	308.06	K	Relay (1.0) Calculated Property
Vc	1.118	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[941.01; 1009.80]	J/mol×K	[825.27; 1012.33]
Cp,gas	941.01	J/mol×K	825.27	Joback Calculated Property
Cp,gas	954.66	J/mol×K	856.45	Joback Calculated Property
Cp,gas	967.35	J/mol×K	887.62	Joback Calculated Property
Cp,gas	979.14	J/mol×K	918.80	Joback Calculated Property
Cp,gas	990.11	J/mol×K	949.97	Joback Calculated Property
Cp,gas	1000.30	J/mol×K	981.15	Joback Calculated Property
Cp,gas	1009.80	J/mol×K	1012.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, heptyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.

Sources

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

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