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

InChI

InChI=1S/C15H13NO5/c17-15(12-4-2-1-3-5-12)21-11-10-20-14-8-6-13(7-9-14)16(18)19/h1-9H,10-11H2

InChI Key

RQYJKKRYSQSUIT-UHFFFAOYSA-N

Formula

C15H13NO5

SMILES

O=C(OCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1

Molecular Weight¹

287.27

• 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°	-12.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-279.12	kJ/mol	Joback Calculated Property
ΔfusH°	37.63	kJ/mol	Joback Calculated Property
ΔvapH°	82.36	kJ/mol	Joback Calculated Property
log10WS	-4.13		Crippen Calculated Property
logPoct/wat	2.831		Crippen Calculated Property
McVol	205.420	ml/mol	McGowan Calculated Property
Pc	2576.72	kPa	Joback Calculated Property
Inp	[2593.00; 2593.00]
Inp	2593.00		NIST
Inp	2593.00		NIST
Tboil	851.49	K	Joback Calculated Property
Tc	1103.59	K	Joback Calculated Property
Tfus	562.17	K	Joback Calculated Property
Vc	0.783	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[589.35; 641.43]	J/mol×K	[851.49; 1103.59]
Cp,gas	589.35	J/mol×K	851.49	Joback Calculated Property
Cp,gas	601.17	J/mol×K	893.51	Joback Calculated Property
Cp,gas	611.68	J/mol×K	935.52	Joback Calculated Property
Cp,gas	620.92	J/mol×K	977.54	Joback Calculated Property
Cp,gas	628.93	J/mol×K	1019.56	Joback Calculated Property
Cp,gas	635.75	J/mol×K	1061.57	Joback Calculated Property
Cp,gas	641.43	J/mol×K	1103.59	Joback Calculated Property

Similar Compounds

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

Sources

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

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