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

InChI

InChI=1S/C16H15F7O4/c1-9(2)7-26-12(24)10-5-3-4-6-11(10)13(25)27-8-14(17,18)15(19,20)16(21,22)23/h3-6,9H,7-8H2,1-2H3

InChI Key

OECFFJKNONTTDW-UHFFFAOYSA-N

Formula

C16H15F7O4

SMILES

CC(C)COC(=O)c1ccccc1C(=O)OCC(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

404.28

• 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°	-1638.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-2042.41	kJ/mol	Joback Calculated Property
ΔfusH°	32.22	kJ/mol	Joback Calculated Property
ΔvapH°	62.47	kJ/mol	Joback Calculated Property
log10WS	-5.52		Crippen Calculated Property
logPoct/wat	4.489		Crippen Calculated Property
McVol	239.810	ml/mol	McGowan Calculated Property
Pc	1483.85	kPa	Joback Calculated Property
Inp	[1751.00; 1751.00]
Inp	1751.00		NIST
Inp	1751.00		NIST
Tboil	734.48	K	Joback Calculated Property
Tc	918.60	K	Joback Calculated Property
Tfus	449.73	K	Joback Calculated Property
Vc	0.959	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[710.11; 772.94]	J/mol×K	[734.48; 918.60]
Cp,gas	710.11	J/mol×K	734.48	Joback Calculated Property
Cp,gas	722.67	J/mol×K	765.17	Joback Calculated Property
Cp,gas	734.33	J/mol×K	795.85	Joback Calculated Property
Cp,gas	745.13	J/mol×K	826.54	Joback Calculated Property
Cp,gas	755.13	J/mol×K	857.23	Joback Calculated Property
Cp,gas	764.38	J/mol×K	887.91	Joback Calculated Property
Cp,gas	772.94	J/mol×K	918.60	Joback Calculated Property

Similar Compounds

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

Sources

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

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