Chemical Properties of Terephthalic acid, ethyl 2-(3-nitrophenyl)ethyl ester

InChI

InChI=1S/C18H17NO6/c1-2-24-17(20)14-6-8-15(9-7-14)18(21)25-11-10-13-4-3-5-16(12-13)19(22)23/h3-9,12H,2,10-11H2,1H3

InChI Key

UTICNDAXLMGVKD-UHFFFAOYSA-N

Formula

C18H17NO6

SMILES

CCOC(=O)c1ccc(C(=O)OCCc2cccc([N+](=O)[O-])c2)cc1

Molecular Weight¹

343.33

• 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°	-126.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-465.09	kJ/mol	Joback Calculated Property
ΔfusH°	46.61	kJ/mol	Joback Calculated Property
ΔvapH°	96.44	kJ/mol	Joback Calculated Property
log10WS	-5.06		Crippen Calculated Property
logPoct/wat	3.171		Crippen Calculated Property
McVol	249.260	ml/mol	McGowan Calculated Property
Pc	2047.46	kPa	Joback Calculated Property
Inp	[2994.00; 2994.00]
Inp	2994.00		NIST
Inp	2994.00		NIST
Tboil	978.98	K	Joback Calculated Property
Tc	1226.15	K	Joback Calculated Property
Tfus	658.43	K	Joback Calculated Property
Vc	0.958	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[760.93; 799.77]	J/mol×K	[978.98; 1226.15]
Cp,gas	760.93	J/mol×K	978.98	Joback Calculated Property
Cp,gas	770.73	J/mol×K	1020.17	Joback Calculated Property
Cp,gas	779.14	J/mol×K	1061.37	Joback Calculated Property
Cp,gas	786.21	J/mol×K	1102.56	Joback Calculated Property
Cp,gas	791.98	J/mol×K	1143.76	Joback Calculated Property
Cp,gas	796.49	J/mol×K	1184.95	Joback Calculated Property
Cp,gas	799.77	J/mol×K	1226.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, ethyl 2-(3-nitrophenyl)ethyl ester.

Sources

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

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