Chemical Properties of Cyclobutanecarboxylic acid, 4-nitrophenyl ester

InChI

InChI=1S/C11H11NO4/c13-11(8-2-1-3-8)16-10-6-4-9(5-7-10)12(14)15/h4-8H,1-3H2

InChI Key

ATLCVECBGGXGAJ-UHFFFAOYSA-N

Formula

C11H11NO4

SMILES

O=C(Oc1ccc([N+](=O)[O-])cc1)C1CCC1

Molecular Weight¹

221.21

• 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°	-5.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-234.23	kJ/mol	Joback Calculated Property
ΔfusH°	28.08	kJ/mol	Joback Calculated Property
ΔvapH°	68.85	kJ/mol	Joback Calculated Property
log10WS	-3.34		Crippen Calculated Property
logPoct/wat	2.300		Crippen Calculated Property
McVol	156.090	ml/mol	McGowan Calculated Property
Pc	3284.05	kPa	Joback Calculated Property
Inp	[1789.00; 1789.00]
Inp	1789.00		NIST
Inp	1789.00		NIST
Tboil	721.88	K	Joback Calculated Property
Tc	977.92	K	Joback Calculated Property
Tfus	482.86	K	Joback Calculated Property
Vc	0.599	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[431.57; 496.57]	J/mol×K	[721.88; 977.92]
Cp,gas	431.57	J/mol×K	721.88	Joback Calculated Property
Cp,gas	445.15	J/mol×K	764.55	Joback Calculated Property
Cp,gas	457.55	J/mol×K	807.23	Joback Calculated Property
Cp,gas	468.82	J/mol×K	849.90	Joback Calculated Property
Cp,gas	479.03	J/mol×K	892.57	Joback Calculated Property
Cp,gas	488.26	J/mol×K	935.24	Joback Calculated Property
Cp,gas	496.57	J/mol×K	977.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclobutanecarboxylic acid, 4-nitrophenyl ester.

Sources

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

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