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

InChI

InChI=1S/C20H21NO7/c1-2-3-12-27-19(22)15-4-6-16(7-5-15)20(23)28-14-13-26-18-10-8-17(9-11-18)21(24)25/h4-11H,2-3,12-14H2,1H3

InChI Key

GYVFYHMXZVJTHB-UHFFFAOYSA-N

Formula

C20H21NO7

SMILES

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

Molecular Weight¹

387.38

• 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	1.0986		Relay (1.0) Calculated Property
ΔfG°	-214.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-732.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.98	kJ/mol	Joback Calculated Property
ΔvapH°	127.20	kJ/mol	Relay (1.0) Calculated Property
IE	9.09	eV	Relay (1.0) Calculated Property
log10WS	-5.62		Relay (1.0) Calculated Property
logPoct/wat	3.788		Crippen Calculated Property
McVol	283.310	ml/mol	McGowan Calculated Property
Pc	1708.95	kPa	Joback Calculated Property
Inp	[2738.00; 2738.00]
Inp	2738.00		NIST
Inp	2738.00		NIST
Tboil	698.50	K	Relay (1.0) Calculated Property
Tc	964.52	K	Relay (1.0) Calculated Property
Tfus	338.94	K	Relay (1.0) Calculated Property
Vc	1.032	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[899.67; 926.89]	J/mol×K	[1047.16; 1292.40]
Cp,gas	899.67	J/mol×K	1047.16	Joback Calculated Property
Cp,gas	908.19	J/mol×K	1088.03	Joback Calculated Property
Cp,gas	915.08	J/mol×K	1128.91	Joback Calculated Property
Cp,gas	920.37	J/mol×K	1169.78	Joback Calculated Property
Cp,gas	924.08	J/mol×K	1210.65	Joback Calculated Property
Cp,gas	926.25	J/mol×K	1251.53	Joback Calculated Property
Cp,gas	926.89	J/mol×K	1292.40	Joback Calculated Property

Similar Compounds

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

Sources

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

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