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

InChI

InChI=1S/C21H24F8O4/c1-2-3-4-5-6-7-11-32-16(30)14-9-8-10-15(12-14)17(31)33-13-19(24,25)21(28,29)20(26,27)18(22)23/h8-10,12,18H,2-7,11,13H2,1H3

InChI Key

ZQQLWTYGYZUACA-UHFFFAOYSA-N

Formula

C21H24F8O4

SMILES

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

Molecular Weight¹

492.40

• 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	1.0444		Relay (1.0) Calculated Property
ΔfG°	-1791.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-2428.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.25	kJ/mol	Joback Calculated Property
ΔvapH°	95.91	kJ/mol	Relay (1.0) Calculated Property
IE	9.70	eV	Relay (1.0) Calculated Property
log10WS	-7.75		Relay (1.0) Calculated Property
logPoct/wat	6.532		Crippen Calculated Property
McVol	312.030	ml/mol	McGowan Calculated Property
Pc	1026.63	kPa	Joback Calculated Property
Inp	[2291.00; 2291.00]
Inp	2291.00		NIST
Inp	2291.00		NIST
Tboil	644.26	K	Relay (1.0) Calculated Property
Tc	802.99	K	Relay (1.0) Calculated Property
Tfus	310.15	K	Relay (1.0) Calculated Property
Vc	1.172	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[998.92; 1069.82]	J/mol×K	[848.15; 1038.93]
Cp,gas	998.92	J/mol×K	848.15	Joback Calculated Property
Cp,gas	1012.98	J/mol×K	879.95	Joback Calculated Property
Cp,gas	1026.05	J/mol×K	911.74	Joback Calculated Property
Cp,gas	1038.20	J/mol×K	943.54	Joback Calculated Property
Cp,gas	1049.50	J/mol×K	975.34	Joback Calculated Property
Cp,gas	1060.01	J/mol×K	1007.13	Joback Calculated Property
Cp,gas	1069.82	J/mol×K	1038.93	Joback Calculated Property

Similar Compounds

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

Sources

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

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