Chemical Properties of Terephthalic acid, ethyl 1-(pentafluorophenyl)ethyl ester

InChI

InChI=1S/C18H13F5O4/c1-3-26-17(24)9-4-6-10(7-5-9)18(25)27-8(2)11-12(19)14(21)16(23)15(22)13(11)20/h4-8H,3H2,1-2H3

InChI Key

BMUJBIPMMKCLFL-UHFFFAOYSA-N

Formula

C18H13F5O4

SMILES

CCOC(=O)c1ccc(C(=O)OC(C)c2c(F)c(F)c(F)c(F)c2F)cc1

Molecular Weight¹

388.29

• 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°	-1176.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-1486.04	kJ/mol	Joback Calculated Property
ΔfusH°	45.57	kJ/mol	Joback Calculated Property
ΔvapH°	78.03	kJ/mol	Joback Calculated Property
log10WS	-6.53		Crippen Calculated Property
logPoct/wat	4.477		Crippen Calculated Property
McVol	240.690	ml/mol	McGowan Calculated Property
Pc	1601.28	kPa	Joback Calculated Property
Inp	[2240.00; 2240.00]
Inp	2240.00		NIST
Inp	2240.00		NIST
Tboil	842.97	K	Joback Calculated Property
Tc	1046.62	K	Joback Calculated Property
Tfus	552.85	K	Joback Calculated Property
Vc	0.960	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[699.72; 752.56]	J/mol×K	[842.97; 1046.62]
Cp,gas	699.72	J/mol×K	842.97	Joback Calculated Property
Cp,gas	711.00	J/mol×K	876.91	Joback Calculated Property
Cp,gas	721.29	J/mol×K	910.85	Joback Calculated Property
Cp,gas	730.59	J/mol×K	944.79	Joback Calculated Property
Cp,gas	738.90	J/mol×K	978.74	Joback Calculated Property
Cp,gas	746.22	J/mol×K	1012.68	Joback Calculated Property
Cp,gas	752.56	J/mol×K	1046.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, ethyl 1-(pentafluorophenyl)ethyl ester.

Sources

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

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