Chemical Properties of Isophthalic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester

InChI

InChI=1S/C18H10F16O4/c19-11(20)15(27,28)17(31,32)13(23,24)5-37-9(35)7-2-1-3-8(4-7)10(36)38-6-14(25,26)18(33,34)16(29,30)12(21)22/h1-4,11-12H,5-6H2

InChI Key

NYOUDFDPEYLGEO-UHFFFAOYSA-N

Formula

C18H10F16O4

SMILES

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

Molecular Weight¹

594.24

• 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).
• 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
ΔfG°	-3369.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-3880.21	kJ/mol	Joback Calculated Property
ΔfusH°	39.35	kJ/mol	Joback Calculated Property
ΔvapH°	55.29	kJ/mol	Joback Calculated Property
log10WS	-7.82		Crippen Calculated Property
logPoct/wat	6.342		Crippen Calculated Property
McVol	283.920	ml/mol	McGowan Calculated Property
Pc	1022.04	kPa	Joback Calculated Property
Inp	[1828.00; 1828.00]
Inp	1828.00		NIST
Inp	1828.00		NIST
Tboil	763.54	K	Joback Calculated Property
Tc	935.40	K	Joback Calculated Property
Tfus	469.84	K	Joback Calculated Property
Vc	1.194	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[895.73; 949.58]	J/mol×K	[763.54; 935.40]
Cp,gas	895.73	J/mol×K	763.54	Joback Calculated Property
Cp,gas	906.65	J/mol×K	792.18	Joback Calculated Property
Cp,gas	916.69	J/mol×K	820.83	Joback Calculated Property
Cp,gas	925.91	J/mol×K	849.47	Joback Calculated Property
Cp,gas	934.41	J/mol×K	878.11	Joback Calculated Property
Cp,gas	942.27	J/mol×K	906.76	Joback Calculated Property
Cp,gas	949.58	J/mol×K	935.40	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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