Chemical Properties of Terephthalic acid, ethyl 2-(4-nitrophenoxy)ethyl ester

InChI

InChI=1S/C18H17NO7/c1-2-24-17(20)13-3-5-14(6-4-13)18(21)26-12-11-25-16-9-7-15(8-10-16)19(22)23/h3-10H,2,11-12H2,1H3

InChI Key

HHJBRNGYXXISOI-UHFFFAOYSA-N

Formula

C18H17NO7

SMILES

CCOC(=O)c1ccc(C(=O)OCCOc2ccc([N+](=O)[O-])cc2)cc1

Molecular Weight¹

359.33

• 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°	-231.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-597.31	kJ/mol	Joback Calculated Property
ΔfusH°	47.80	kJ/mol	Joback Calculated Property
ΔvapH°	98.85	kJ/mol	Joback Calculated Property
log10WS	-4.79		Crippen Calculated Property
logPoct/wat	3.007		Crippen Calculated Property
McVol	255.130	ml/mol	McGowan Calculated Property
Pc	2016.32	kPa	Joback Calculated Property
Inp	[3181.00; 3181.00]
Inp	3181.00		NIST
Inp	3181.00		NIST
Tboil	1001.40	K	Joback Calculated Property
Tc	1247.55	K	Joback Calculated Property
Tfus	680.66	K	Joback Calculated Property
Vc	0.976	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[784.93; 814.01]	J/mol×K	[1001.40; 1247.55]
Cp,gas	784.93	J/mol×K	1001.40	Joback Calculated Property
Cp,gas	793.60	J/mol×K	1042.43	Joback Calculated Property
Cp,gas	800.73	J/mol×K	1083.45	Joback Calculated Property
Cp,gas	806.31	J/mol×K	1124.48	Joback Calculated Property
Cp,gas	810.38	J/mol×K	1165.50	Joback Calculated Property
Cp,gas	812.94	J/mol×K	1206.53	Joback Calculated Property
Cp,gas	814.01	J/mol×K	1247.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, ethyl 2-(4-nitrophenoxy)ethyl ester.

Sources

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

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