Chemical Properties of Terephthalic acid, heptyl 3-fluorobenzyl ester

InChI

InChI=1S/C22H25FO4/c1-2-3-4-5-6-14-26-21(24)18-10-12-19(13-11-18)22(25)27-16-17-8-7-9-20(23)15-17/h7-13,15H,2-6,14,16H2,1H3

InChI Key

UOEHXRSCYZICEC-UHFFFAOYSA-N

Formula

C22H25FO4

SMILES

CCCCCCCOC(=O)c1ccc(C(=O)OCc2cccc(F)c2)cc1

Molecular Weight¹

372.43

• 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	0.9920		Relay (1.0) Calculated Property
ΔfG°	-322.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-834.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.69	kJ/mol	Joback Calculated Property
ΔvapH°	112.21	kJ/mol	Relay (1.0) Calculated Property
IE	9.01	eV	Relay (1.0) Calculated Property
log10WS	-6.34		Relay (1.0) Calculated Property
logPoct/wat	5.310		Crippen Calculated Property
McVol	289.970	ml/mol	McGowan Calculated Property
Pc	1422.92	kPa	Joback Calculated Property
Inp	[2927.00; 2927.00]
Inp	2927.00		NIST
Inp	2927.00		NIST
Tboil	669.84	K	Relay (1.0) Calculated Property
Tc	902.27	K	Relay (1.0) Calculated Property
Tfus	289.75	K	Relay (1.0) Calculated Property
Vc	1.077	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[903.90; 968.28]	J/mol×K	[917.93; 1135.73]
Cp,gas	903.90	J/mol×K	917.93	Joback Calculated Property
Cp,gas	917.71	J/mol×K	954.23	Joback Calculated Property
Cp,gas	930.24	J/mol×K	990.53	Joback Calculated Property
Cp,gas	941.53	J/mol×K	1026.83	Joback Calculated Property
Cp,gas	951.60	J/mol×K	1063.13	Joback Calculated Property
Cp,gas	960.51	J/mol×K	1099.43	Joback Calculated Property
Cp,gas	968.28	J/mol×K	1135.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, heptyl 3-fluorobenzyl ester.

Sources

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

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