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

InChI

InChI=1S/C17H17F7O4/c1-2-3-6-9-27-13(25)11-7-4-5-8-12(11)14(26)28-10-15(18,19)16(20,21)17(22,23)24/h4-5,7-8H,2-3,6,9-10H2,1H3

InChI Key

MOJADYZTEIBFCJ-UHFFFAOYSA-N

Formula

C17H17F7O4

SMILES

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

Molecular Weight¹

418.30

• 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	0.8799		Relay (1.0) Calculated Property
ΔfG°	-1627.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-2188.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.33	kJ/mol	Joback Calculated Property
ΔvapH°	81.58	kJ/mol	Relay (1.0) Calculated Property
IE	9.81	eV	Relay (1.0) Calculated Property
log10WS	-6.33		Relay (1.0) Calculated Property
logPoct/wat	5.023		Crippen Calculated Property
McVol	253.900	ml/mol	McGowan Calculated Property
Pc	1371.74	kPa	Joback Calculated Property
Inp	[1842.00; 1842.00]
Inp	1842.00		NIST
Inp	1842.00		NIST
Tboil	583.82	K	Relay (1.0) Calculated Property
Tc	729.65	K	Relay (1.0) Calculated Property
Tfus	250.26	K	Relay (1.0) Calculated Property
Vc	0.943	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[764.02; 828.23]	J/mol×K	[757.80; 940.48]
Cp,gas	764.02	J/mol×K	757.80	Joback Calculated Property
Cp,gas	776.77	J/mol×K	788.25	Joback Calculated Property
Cp,gas	788.63	J/mol×K	818.69	Joback Calculated Property
Cp,gas	799.66	J/mol×K	849.14	Joback Calculated Property
Cp,gas	809.90	J/mol×K	879.59	Joback Calculated Property
Cp,gas	819.40	J/mol×K	910.03	Joback Calculated Property
Cp,gas	828.23	J/mol×K	940.48	Joback Calculated Property

Similar Compounds

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

Sources

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

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