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

InChI

InChI=1S/C24H31F7O4/c1-2-3-4-5-6-7-8-9-10-11-16-34-20(32)18-12-14-19(15-13-18)21(33)35-17-22(25,26)23(27,28)24(29,30)31/h12-15H,2-11,16-17H2,1H3

InChI Key

BREIHXBPUJZCAY-UHFFFAOYSA-N

Formula

C24H31F7O4

SMILES

CCCCCCCCCCCCOC(=O)c1ccc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)F)cc1

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	1.1627		Relay (1.0) Calculated Property
ΔfG°	-1569.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-2343.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.46	kJ/mol	Joback Calculated Property
ΔvapH°	112.80	kJ/mol	Relay (1.0) Calculated Property
IE	9.92	eV	Relay (1.0) Calculated Property
log10WS	-8.47		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	[2798.00; 2798.00]
Inp	2798.00		NIST
Inp	2798.00		NIST
Tboil	658.90	K	Relay (1.0) Calculated Property
Tc	794.88	K	Relay (1.0) Calculated Property
Tfus	299.09	K	Relay (1.0) Calculated Property
Vc	1.322	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 Terephthalic 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.