Chemical Properties of Terephthalic acid, decyl 4-fluoro-2-methoxyphenyl ester

InChI

InChI=1S/C25H31FO5/c1-3-4-5-6-7-8-9-10-17-30-24(27)19-11-13-20(14-12-19)25(28)31-22-16-15-21(26)18-23(22)29-2/h11-16,18H,3-10,17H2,1-2H3

InChI Key

DRHQWEJKWGPMBZ-UHFFFAOYSA-N

Formula

C25H31FO5

SMILES

CCCCCCCCCCOC(=O)c1ccc(C(=O)Oc2ccc(F)cc2OC)cc1

Molecular Weight¹

430.51

• 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	1.1854		Relay (1.0) Calculated Property
ΔfG°	-412.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-1028.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.26	kJ/mol	Joback Calculated Property
ΔvapH°	124.56	kJ/mol	Relay (1.0) Calculated Property
IE	8.56	eV	Relay (1.0) Calculated Property
log10WS	-6.98		Relay (1.0) Calculated Property
logPoct/wat	6.351		Crippen Calculated Property
McVol	338.110	ml/mol	McGowan Calculated Property
Pc	1132.91	kPa	Joback Calculated Property
Inp	[2424.00; 2424.00]
Inp	2424.00		NIST
Inp	2424.00		NIST
Tboil	700.34	K	Relay (1.0) Calculated Property
Tc	935.15	K	Relay (1.0) Calculated Property
Tfus	337.70	K	Relay (1.0) Calculated Property
Vc	1.261	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1108.72; 1162.11]	J/mol×K	[1013.97; 1241.87]
Cp,gas	1108.72	J/mol×K	1013.97	Joback Calculated Property
Cp,gas	1121.66	J/mol×K	1051.95	Joback Calculated Property
Cp,gas	1132.94	J/mol×K	1089.94	Joback Calculated Property
Cp,gas	1142.60	J/mol×K	1127.92	Joback Calculated Property
Cp,gas	1150.66	J/mol×K	1165.90	Joback Calculated Property
Cp,gas	1157.15	J/mol×K	1203.88	Joback Calculated Property
Cp,gas	1162.11	J/mol×K	1241.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, decyl 4-fluoro-2-methoxyphenyl ester.

Sources

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

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