Chemical Properties of Terephthalic acid, decyl 2,2,3,3,3-pentafluoropropyl ester

InChI

InChI=1S/C21H27F5O4/c1-2-3-4-5-6-7-8-9-14-29-18(27)16-10-12-17(13-11-16)19(28)30-15-20(22,23)21(24,25)26/h10-13H,2-9,14-15H2,1H3

InChI Key

DYPOCXLOCCYDSP-UHFFFAOYSA-N

Formula

C21H27F5O4

SMILES

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

Molecular Weight¹

438.43

• 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	1.0512		Relay (1.0) Calculated Property
ΔfH°gas	-1890.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.11	kJ/mol	Joback Calculated Property
ΔvapH°	103.18	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.38		Relay (1.0) Calculated Property
logPoct/wat	6.338		Crippen Calculated Property
McVol	306.720	ml/mol	McGowan Calculated Property
Pc	1043.95	kPa	Joback Calculated Property
Inp	[2376.00; 2376.00]
Inp	2376.00		NIST
Inp	2376.00		NIST
Tboil	633.61	K	Relay (1.0) Calculated Property
Tc	778.79	K	Relay (1.0) Calculated Property
Tfus	304.31	K	Relay (1.0) Calculated Property
Vc	1.148	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	[962.62; 1037.24]	J/mol×K	[818.07; 1004.99]
Cp,gas	962.62	J/mol×K	818.07	Joback Calculated Property
Cp,gas	977.61	J/mol×K	849.22	Joback Calculated Property
Cp,gas	991.50	J/mol×K	880.38	Joback Calculated Property
Cp,gas	1004.36	J/mol×K	911.53	Joback Calculated Property
Cp,gas	1016.23	J/mol×K	942.68	Joback Calculated Property
Cp,gas	1027.17	J/mol×K	973.84	Joback Calculated Property
Cp,gas	1037.24	J/mol×K	1004.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, decyl 2,2,3,3,3-pentafluoropropyl ester.

Sources

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

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