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

InChI

InChI=1S/C24H31F7O4/c1-2-3-4-5-6-7-8-9-10-13-16-34-20(32)18-14-11-12-15-19(18)21(33)35-17-22(25,26)23(27,28)24(29,30)31/h11-12,14-15H,2-10,13,16-17H2,1H3

InChI Key

ZYKGVAASIBASMZ-UHFFFAOYSA-N

Formula

C24H31F7O4

SMILES

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

Molecular Weight¹

516.49

• 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	1.1497		Relay (1.0) Calculated Property
ΔfG°	-1569.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-2326.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.46	kJ/mol	Joback Calculated Property
ΔvapH°	107.83	kJ/mol	Relay (1.0) Calculated Property
IE	9.78	eV	Relay (1.0) Calculated Property
log10WS	-8.30		Relay (1.0) Calculated Property
logPoct/wat	7.754		Crippen Calculated Property
McVol	352.530	ml/mol	McGowan Calculated Property
Pc	879.48	kPa	Joback Calculated Property
Inp	[2512.00; 2512.00]
Inp	2512.00		NIST
Inp	2512.00		NIST
Tboil	654.05	K	Relay (1.0) Calculated Property
Tc	796.14	K	Relay (1.0) Calculated Property
Tfus	273.32	K	Relay (1.0) Calculated Property
Vc	1.320	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1169.40; 1248.74]	J/mol×K	[917.96; 1124.86]
Cp,gas	1169.40	J/mol×K	917.96	Joback Calculated Property
Cp,gas	1185.07	J/mol×K	952.44	Joback Calculated Property
Cp,gas	1199.63	J/mol×K	986.93	Joback Calculated Property
Cp,gas	1213.18	J/mol×K	1021.41	Joback Calculated Property
Cp,gas	1225.81	J/mol×K	1055.89	Joback Calculated Property
Cp,gas	1237.63	J/mol×K	1090.38	Joback Calculated Property
Cp,gas	1248.74	J/mol×K	1124.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, dodecyl 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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