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

InChI

InChI=1S/C19H23F5O4/c1-2-3-4-5-6-7-12-27-16(25)14-8-10-15(11-9-14)17(26)28-13-18(20,21)19(22,23)24/h8-11H,2-7,12-13H2,1H3

InChI Key

SVVGSMOPKCUKFK-UHFFFAOYSA-N

Formula

C19H23F5O4

SMILES

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

Molecular Weight¹

410.38

• 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°	-1224.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-1698.08	kJ/mol	Joback Calculated Property
ΔfusH°	44.76	kJ/mol	Joback Calculated Property
ΔvapH°	72.46	kJ/mol	Joback Calculated Property
log10WS	-6.70		Crippen Calculated Property
logPoct/wat	5.558		Crippen Calculated Property
McVol	278.540	ml/mol	McGowan Calculated Property
Pc	1256.59	kPa	Joback Calculated Property
Inp	[2180.00; 2180.00]
Inp	2180.00		NIST
Inp	2180.00		NIST
Tboil	808.25	K	Joback Calculated Property
Tc	996.82	K	Joback Calculated Property
Tfus	494.94	K	Joback Calculated Property
Vc	1.107	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[859.22; 930.37]	J/mol×K	[808.25; 996.82]
Cp,gas	859.22	J/mol×K	808.25	Joback Calculated Property
Cp,gas	873.32	J/mol×K	839.68	Joback Calculated Property
Cp,gas	886.46	J/mol×K	871.11	Joback Calculated Property
Cp,gas	898.68	J/mol×K	902.53	Joback Calculated Property
Cp,gas	910.04	J/mol×K	933.96	Joback Calculated Property
Cp,gas	920.59	J/mol×K	965.39	Joback Calculated Property
Cp,gas	930.37	J/mol×K	996.82	Joback Calculated Property

Similar Compounds

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

Sources

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

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