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

InChI

InChI=1S/C20H23F7O4/c1-2-3-4-5-6-9-12-30-16(28)14-10-7-8-11-15(14)17(29)31-13-18(21,22)19(23,24)20(25,26)27/h7-8,10-11H,2-6,9,12-13H2,1H3

InChI Key

QHWGPIZRBKUXLV-UHFFFAOYSA-N

Formula

C20H23F7O4

SMILES

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

Molecular Weight¹

460.38

• 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	0.9980		Relay (1.0) Calculated Property
ΔfG°	-1602.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-2246.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.10	kJ/mol	Joback Calculated Property
ΔvapH°	91.72	kJ/mol	Relay (1.0) Calculated Property
IE	9.71	eV	Relay (1.0) Calculated Property
log10WS	-7.24		Relay (1.0) Calculated Property
logPoct/wat	6.194		Crippen Calculated Property
McVol	296.170	ml/mol	McGowan Calculated Property
Pc	1120.05	kPa	Joback Calculated Property
Inp	[2127.00; 2127.00]
Inp	2127.00		NIST
Inp	2127.00		NIST
Tboil	617.70	K	Relay (1.0) Calculated Property
Tc	759.84	K	Relay (1.0) Calculated Property
Tfus	259.40	K	Relay (1.0) Calculated Property
Vc	1.105	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[933.01; 1002.98]	J/mol×K	[826.44; 1014.70]
Cp,gas	933.01	J/mol×K	826.44	Joback Calculated Property
Cp,gas	946.85	J/mol×K	857.82	Joback Calculated Property
Cp,gas	959.73	J/mol×K	889.19	Joback Calculated Property
Cp,gas	971.72	J/mol×K	920.57	Joback Calculated Property
Cp,gas	982.88	J/mol×K	951.95	Joback Calculated Property
Cp,gas	993.28	J/mol×K	983.33	Joback Calculated Property
Cp,gas	1002.98	J/mol×K	1014.70	Joback Calculated Property

Similar Compounds

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

Sources

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

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