Chemical Properties of Terephthalic acid, ethyl 3-nitro-4-methylbenzyl ester

InChI

InChI=1S/C18H17NO6/c1-3-24-17(20)14-6-8-15(9-7-14)18(21)25-11-13-5-4-12(2)16(10-13)19(22)23/h4-10H,3,11H2,1-2H3

InChI Key

OBRTVKBQYMFKEP-UHFFFAOYSA-N

Formula

C18H17NO6

SMILES

CCOC(=O)c1ccc(C(=O)OCc2ccc(C)c([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°	-135.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-476.56	kJ/mol	Joback Calculated Property
ΔfusH°	46.23	kJ/mol	Joback Calculated Property
ΔvapH°	97.10	kJ/mol	Joback Calculated Property
log10WS	-5.61		Crippen Calculated Property
logPoct/wat	3.437		Crippen Calculated Property
McVol	249.260	ml/mol	McGowan Calculated Property
Pc	2019.95	kPa	Joback Calculated Property
Inp	[2963.00; 2963.00]
Inp	2963.00		NIST
Inp	2963.00		NIST
Tboil	983.96	K	Joback Calculated Property
Tc	1231.84	K	Joback Calculated Property
Tfus	670.95	K	Joback Calculated Property
Vc	0.958	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[759.15; 796.34]	J/mol×K	[983.96; 1231.84]
Cp,gas	759.15	J/mol×K	983.96	Joback Calculated Property
Cp,gas	768.79	J/mol×K	1025.27	Joback Calculated Property
Cp,gas	777.02	J/mol×K	1066.59	Joback Calculated Property
Cp,gas	783.86	J/mol×K	1107.90	Joback Calculated Property
Cp,gas	789.34	J/mol×K	1149.22	Joback Calculated Property
Cp,gas	793.49	J/mol×K	1190.53	Joback Calculated Property
Cp,gas	796.34	J/mol×K	1231.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, ethyl 3-nitro-4-methylbenzyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.