Chemical Properties of Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl nonyl ester

InChI

InChI=1S/C21H25F7O4/c1-2-3-4-5-6-7-10-13-31-17(29)15-11-8-9-12-16(15)18(30)32-14-19(22,23)20(24,25)21(26,27)28/h8-9,11-12H,2-7,10,13-14H2,1H3

InChI Key

AKMOKMVKYVLVJA-UHFFFAOYSA-N

Formula

C21H25F7O4

SMILES

CCCCCCCCCOC(=O)c1ccccc1C(=O)OCC(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

474.41

• 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°	-1594.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-2140.33	kJ/mol	Joback Calculated Property
ΔfusH°	48.69	kJ/mol	Joback Calculated Property
ΔvapH°	73.98	kJ/mol	Joback Calculated Property
log10WS	-7.85		Crippen Calculated Property
logPoct/wat	6.584		Crippen Calculated Property
McVol	310.260	ml/mol	McGowan Calculated Property
Pc	1051.41	kPa	Joback Calculated Property
Inp	[2221.00; 2221.00]
Inp	2221.00		NIST
Inp	2221.00		NIST
Tboil	849.32	K	Joback Calculated Property
Tc	1040.91	K	Joback Calculated Property
Tfus	521.08	K	Joback Calculated Property
Vc	1.244	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[991.02; 1063.06]	J/mol×K	[849.32; 1040.91]
Cp,gas	991.02	J/mol×K	849.32	Joback Calculated Property
Cp,gas	1005.26	J/mol×K	881.25	Joback Calculated Property
Cp,gas	1018.51	J/mol×K	913.18	Joback Calculated Property
Cp,gas	1030.85	J/mol×K	945.12	Joback Calculated Property
Cp,gas	1042.33	J/mol×K	977.05	Joback Calculated Property
Cp,gas	1053.05	J/mol×K	1008.98	Joback Calculated Property
Cp,gas	1063.06	J/mol×K	1040.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl nonyl ester.

Sources

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

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