Chemical Properties of Phthalic acid, di(2,2,3,3,4,4,4-heptafluorobutyl) ester

InChI

InChI=1S/C16H8F14O4/c17-11(18,13(21,22)15(25,26)27)5-33-9(31)7-3-1-2-4-8(7)10(32)34-6-12(19,20)14(23,24)16(28,29)30/h1-4H,5-6H2

InChI Key

PKCVOGXIHIKWOT-UHFFFAOYSA-N

Formula

C16H8F14O4

SMILES

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

Molecular Weight¹

530.21

• 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	0.8709		Relay (1.0) Calculated Property
ΔfG°	-2991.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-3569.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.06	kJ/mol	Joback Calculated Property
ΔvapH°	83.51	kJ/mol	Relay (1.0) Calculated Property
IE	10.28	eV	Relay (1.0) Calculated Property
log10WS	-7.72		Relay (1.0) Calculated Property
logPoct/wat	5.666		Crippen Calculated Property
McVol	252.200	ml/mol	McGowan Calculated Property
Pc	1220.85	kPa	Joback Calculated Property
Inp	[2447.00; 2447.00]
Inp	2447.00		NIST
Inp	2447.00		NIST
Tboil	559.64	K	Relay (1.0) Calculated Property
Tc	705.90	K	Relay (1.0) Calculated Property
Tfus	311.80	K	Relay (1.0) Calculated Property
Vc	0.985	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[772.02; 823.00]	J/mol×K	[720.12; 888.26]
Cp,gas	772.02	J/mol×K	720.12	Joback Calculated Property
Cp,gas	782.43	J/mol×K	748.14	Joback Calculated Property
Cp,gas	791.98	J/mol×K	776.17	Joback Calculated Property
Cp,gas	800.73	J/mol×K	804.19	Joback Calculated Property
Cp,gas	808.77	J/mol×K	832.21	Joback Calculated Property
Cp,gas	816.17	J/mol×K	860.24	Joback Calculated Property
Cp,gas	823.00	J/mol×K	888.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, di(2,2,3,3,4,4,4-heptafluorobutyl) ester.

Sources

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

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