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

InChI

InChI=1S/C26H37F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-34-23(32)21-15-17-22(18-16-21)24(33)35-20-25(27,28)26(29,30)31/h15-18H,2-14,19-20H2,1H3

InChI Key

RTIRRUPGGGDSSV-UHFFFAOYSA-N

Formula

C26H37F5O4

SMILES

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

Molecular Weight¹

508.56

• 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°	-1165.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-1842.56	kJ/mol	Joback Calculated Property
ΔfusH°	62.89	kJ/mol	Joback Calculated Property
ΔvapH°	88.04	kJ/mol	Joback Calculated Property
log10WS	-9.63		Crippen Calculated Property
logPoct/wat	8.289		Crippen Calculated Property
McVol	377.170	ml/mol	McGowan Calculated Property
Pc	819.60	kPa	Joback Calculated Property
Inp	[2866.00; 2866.00]
Inp	2866.00		NIST
Inp	2866.00		NIST
Tboil	968.41	K	Joback Calculated Property
Tc	1190.01	K	Joback Calculated Property
Tfus	573.83	K	Joback Calculated Property
Vc	1.500	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1277.72; 1362.63]	J/mol×K	[968.41; 1190.01]
Cp,gas	1277.72	J/mol×K	968.41	Joback Calculated Property
Cp,gas	1294.85	J/mol×K	1005.34	Joback Calculated Property
Cp,gas	1310.65	J/mol×K	1042.28	Joback Calculated Property
Cp,gas	1325.22	J/mol×K	1079.21	Joback Calculated Property
Cp,gas	1338.67	J/mol×K	1116.15	Joback Calculated Property
Cp,gas	1351.11	J/mol×K	1153.08	Joback Calculated Property
Cp,gas	1362.63	J/mol×K	1190.01	Joback Calculated Property

Similar Compounds

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

Sources

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

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