Chemical Properties of Cyclohexanecarboxylic acid, 4-nitrophenyl ester

InChI

InChI=1S/C13H15NO4/c15-13(10-4-2-1-3-5-10)18-12-8-6-11(7-9-12)14(16)17/h6-10H,1-5H2

InChI Key

UCQFTYKBLBJWIO-UHFFFAOYSA-N

Formula

C13H15NO4

SMILES

O=C(Oc1ccc([N+](=O)[O-])cc1)C1CCCCC1

Molecular Weight¹

249.26

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	30.64	kJ/mol	Joback Calculated Property
IE	9.27	eV	Relay (1.0) Calculated Property
log10WS	-4.19		Relay (1.0) Calculated Property
logPoct/wat	3.081		Crippen Calculated Property
McVol	184.270	ml/mol	McGowan Calculated Property
Inp	[2023.00; 2023.00]
Inp	2023.00		NIST
Inp	2023.00		NIST
Tboil	612.11	K	Relay (1.0) Calculated Property
Tfus	376.96	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[538.71; 611.05]	J/mol×K	[758.31; 1017.23]
Cp,gas	538.71	J/mol×K	758.31	Joback Calculated Property
Cp,gas	554.61	J/mol×K	801.46	Joback Calculated Property
Cp,gas	568.89	J/mol×K	844.62	Joback Calculated Property
Cp,gas	581.63	J/mol×K	887.77	Joback Calculated Property
Cp,gas	592.86	J/mol×K	930.92	Joback Calculated Property
Cp,gas	602.65	J/mol×K	974.08	Joback Calculated Property
Cp,gas	611.05	J/mol×K	1017.23	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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