Chemical Properties of Aniline, N-cyclohexylcarbonyl-4-methoxy- (CAS 315712-26-6)

InChI

InChI=1S/C14H19NO2/c1-17-13-9-7-12(8-10-13)15-14(16)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,15,16)

InChI Key

HIXKKTIDKQKPNN-UHFFFAOYSA-N

Formula

C14H19NO2

SMILES

COc1ccc(NC(=O)C2CCCCC2)cc1

Molecular Weight¹

233.31

CAS

315712-26-6

Other Names

• Cyclohexanecarboxamide, N-(4-methoxyphenyl)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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
ΔfH°gas	-306.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.39	kJ/mol	Joback Calculated Property
IE	7.74	eV	Relay (1.0) Calculated Property
log10WS	-3.74		Relay (1.0) Calculated Property
logPoct/wat	3.214		Crippen Calculated Property
McVol	190.920	ml/mol	McGowan Calculated Property
Inp	[2137.00; 2137.00]
Inp	2137.00		NIST
Inp	2137.00		NIST
Tboil	629.96	K	Relay (1.0) Calculated Property
Tfus	391.71	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[541.79; 631.61]	J/mol×K	[697.59; 931.43]
Cp,gas	541.79	J/mol×K	697.59	Joback Calculated Property
Cp,gas	560.07	J/mol×K	736.56	Joback Calculated Property
Cp,gas	576.98	J/mol×K	775.54	Joback Calculated Property
Cp,gas	592.54	J/mol×K	814.51	Joback Calculated Property
Cp,gas	606.81	J/mol×K	853.48	Joback Calculated Property
Cp,gas	619.82	J/mol×K	892.46	Joback Calculated Property
Cp,gas	631.61	J/mol×K	931.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Aniline, N-cyclohexylcarbonyl-4-methoxy-.

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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