Chemical Properties of Terephthalic acid, heptyl 4-trifluoromethoxybenzyl ester

InChI

InChI=1S/C23H25F3O5/c1-2-3-4-5-6-15-29-21(27)18-9-11-19(12-10-18)22(28)30-16-17-7-13-20(14-8-17)31-23(24,25)26/h7-14H,2-6,15-16H2,1H3

InChI Key

QRADQWOAFLOSGC-UHFFFAOYSA-N

Formula

C23H25F3O5

SMILES

CCCCCCCOC(=O)c1ccc(C(=O)OCc2ccc(OC(F)(F)F)cc2)cc1

Molecular Weight¹

438.44

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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	1.0803		Relay (1.0) Calculated Property
ΔfG°	-806.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-1458.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.22	kJ/mol	Joback Calculated Property
ΔvapH°	109.21	kJ/mol	Relay (1.0) Calculated Property
IE	9.10	eV	Relay (1.0) Calculated Property
log10WS	-6.99		Relay (1.0) Calculated Property
logPoct/wat	6.069		Crippen Calculated Property
McVol	313.470	ml/mol	McGowan Calculated Property
Pc	1244.21	kPa	Joback Calculated Property
Inp	[2884.00; 2884.00]
Inp	2884.00		NIST
Inp	2884.00		NIST
Tboil	684.77	K	Relay (1.0) Calculated Property
Tc	873.52	K	Relay (1.0) Calculated Property
Tfus	289.28	K	Relay (1.0) Calculated Property
Vc	1.160	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1004.68; 1061.82]	J/mol×K	[958.54; 1176.69]
Cp,gas	1004.68	J/mol×K	958.54	Joback Calculated Property
Cp,gas	1017.34	J/mol×K	994.90	Joback Calculated Property
Cp,gas	1028.68	J/mol×K	1031.26	Joback Calculated Property
Cp,gas	1038.75	J/mol×K	1067.62	Joback Calculated Property
Cp,gas	1047.59	J/mol×K	1103.97	Joback Calculated Property
Cp,gas	1055.27	J/mol×K	1140.33	Joback Calculated Property
Cp,gas	1061.82	J/mol×K	1176.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, heptyl 4-trifluoromethoxybenzyl ester.

Sources

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

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