Chemical Properties of Terephthalic acid, ethyl 2-fluoro-5-nitrobenzyl ester

InChI

InChI=1S/C17H14FNO6/c1-2-24-16(20)11-3-5-12(6-4-11)17(21)25-10-13-9-14(19(22)23)7-8-15(13)18/h3-9H,2,10H2,1H3

InChI Key

NTWFENWAIXZFAF-UHFFFAOYSA-N

Formula

C17H14FNO6

SMILES

CCOC(=O)c1ccc(C(=O)OCc2cc([N+](=O)[O-])ccc2F)cc1

Molecular Weight¹

347.29

• 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°	-338.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-652.03	kJ/mol	Joback Calculated Property
ΔfusH°	46.72	kJ/mol	Joback Calculated Property
ΔvapH°	94.06	kJ/mol	Joback Calculated Property
log10WS	-5.47		Crippen Calculated Property
logPoct/wat	3.268		Crippen Calculated Property
McVol	236.940	ml/mol	McGowan Calculated Property
Pc	2115.83	kPa	Joback Calculated Property
Inp	[2833.00; 2833.00]
Inp	2833.00		NIST
Inp	2833.00		NIST
Tboil	960.35	K	Joback Calculated Property
Tc	1203.51	K	Joback Calculated Property
Tfus	660.27	K	Joback Calculated Property
Vc	0.919	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[709.53; 745.43]	J/mol×K	[960.35; 1203.51]
Cp,gas	709.53	J/mol×K	960.35	Joback Calculated Property
Cp,gas	718.73	J/mol×K	1000.88	Joback Calculated Property
Cp,gas	726.60	J/mol×K	1041.40	Joback Calculated Property
Cp,gas	733.19	J/mol×K	1081.93	Joback Calculated Property
Cp,gas	738.50	J/mol×K	1122.46	Joback Calculated Property
Cp,gas	742.57	J/mol×K	1162.99	Joback Calculated Property
Cp,gas	745.43	J/mol×K	1203.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, ethyl 2-fluoro-5-nitrobenzyl ester.

Sources

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

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