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

InChI

InChI=1S/C15H13F7O4/c1-2-7-25-11(23)9-5-3-4-6-10(9)12(24)26-8-13(16,17)14(18,19)15(20,21)22/h3-6H,2,7-8H2,1H3

InChI Key

UROUPYRSZUIYIH-UHFFFAOYSA-N

Formula

C15H13F7O4

SMILES

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

Molecular Weight¹

390.25

• 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°	-1644.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-2016.49	kJ/mol	Joback Calculated Property
ΔfusH°	33.15	kJ/mol	Joback Calculated Property
ΔvapH°	60.63	kJ/mol	Joback Calculated Property
log10WS	-5.34		Crippen Calculated Property
logPoct/wat	4.243		Crippen Calculated Property
McVol	225.720	ml/mol	McGowan Calculated Property
Pc	1589.81	kPa	Joback Calculated Property
Inp	[1664.00; 1664.00]
Inp	1664.00		NIST
Inp	1664.00		NIST
Tboil	712.04	K	Joback Calculated Property
Tc	894.09	K	Joback Calculated Property
Tfus	453.46	K	Joback Calculated Property
Vc	0.908	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[656.14; 716.42]	J/mol×K	[712.04; 894.09]
Cp,gas	656.14	J/mol×K	712.04	Joback Calculated Property
Cp,gas	668.19	J/mol×K	742.38	Joback Calculated Property
Cp,gas	679.37	J/mol×K	772.72	Joback Calculated Property
Cp,gas	689.73	J/mol×K	803.06	Joback Calculated Property
Cp,gas	699.33	J/mol×K	833.41	Joback Calculated Property
Cp,gas	708.21	J/mol×K	863.75	Joback Calculated Property
Cp,gas	716.42	J/mol×K	894.09	Joback Calculated Property

Similar Compounds

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

Sources

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

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