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

• 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).
• 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
ΔfG°	-1207.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-1739.36	kJ/mol	Joback Calculated Property
ΔfusH°	49.94	kJ/mol	Joback Calculated Property
ΔvapH°	76.91	kJ/mol	Joback Calculated Property
log10WS	-7.54		Crippen Calculated Property
logPoct/wat	6.338		Crippen Calculated Property
McVol	306.720	ml/mol	McGowan Calculated Property
Pc	1101.54	kPa	Joback Calculated Property
Inp	[2376.00; 2376.00]
Inp	2376.00		NIST
Inp	2376.00		NIST
Tboil	854.01	K	Joback Calculated Property
Tc	1047.55	K	Joback Calculated Property
Tfus	517.48	K	Joback Calculated Property
Vc	1.220	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[975.34; 1049.84]	J/mol×K	[854.01; 1047.55]
Cp,gas	975.34	J/mol×K	854.01	Joback Calculated Property
Cp,gas	990.15	J/mol×K	886.27	Joback Calculated Property
Cp,gas	1003.92	J/mol×K	918.52	Joback Calculated Property
Cp,gas	1016.72	J/mol×K	950.78	Joback Calculated Property
Cp,gas	1028.60	J/mol×K	983.04	Joback Calculated Property
Cp,gas	1039.62	J/mol×K	1015.29	Joback Calculated Property
Cp,gas	1049.84	J/mol×K	1047.55	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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