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

InChI

InChI=1S/C19H21F7O4/c1-2-3-4-5-6-11-29-15(27)13-7-9-14(10-8-13)16(28)30-12-17(20,21)18(22,23)19(24,25)26/h7-10H,2-6,11-12H2,1H3

InChI Key

CINBXKODVMVBDY-UHFFFAOYSA-N

Formula

C19H21F7O4

SMILES

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

Molecular Weight¹

446.36

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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	0.9731		Relay (1.0) Calculated Property
ΔfH°gas	-2245.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.67	kJ/mol	Joback Calculated Property
ΔvapH°	93.75	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.14		Relay (1.0) Calculated Property
logPoct/wat	5.804		Crippen Calculated Property
McVol	282.080	ml/mol	McGowan Calculated Property
Pc	1130.62	kPa	Joback Calculated Property
Inp	[2122.00; 2122.00]
Inp	2122.00		NIST
Inp	2122.00		NIST
Tboil	611.77	K	Relay (1.0) Calculated Property
Tc	751.01	K	Relay (1.0) Calculated Property
Tfus	284.64	K	Relay (1.0) Calculated Property
Vc	1.054	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[864.63; 933.43]	J/mol×K	[767.62; 947.34]
Cp,gas	864.63	J/mol×K	767.62	Joback Calculated Property
Cp,gas	878.43	J/mol×K	797.57	Joback Calculated Property
Cp,gas	891.22	J/mol×K	827.53	Joback Calculated Property
Cp,gas	903.06	J/mol×K	857.48	Joback Calculated Property
Cp,gas	914.00	J/mol×K	887.43	Joback Calculated Property
Cp,gas	924.10	J/mol×K	917.38	Joback Calculated Property
Cp,gas	933.43	J/mol×K	947.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl heptyl 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.
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