Chemical Properties of Cyclohexanecarboxylic acid, 2-naphthyl ester

InChI

InChI=1S/C17H18O2/c18-17(14-7-2-1-3-8-14)19-16-11-10-13-6-4-5-9-15(13)12-16/h4-6,9-12,14H,1-3,7-8H2

InChI Key

DTJCAZMLSDVXEI-UHFFFAOYSA-N

Formula

C17H18O2

SMILES

O=C(Oc1ccc2ccccc2c1)C1CCCCC1

Molecular Weight¹

254.33

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	26.66	kJ/mol	Joback Calculated Property
IE	7.92	eV	Relay (1.0) Calculated Property
logPoct/wat	4.325		Crippen Calculated Property
McVol	203.750	ml/mol	McGowan Calculated Property
Inp	[2187.00; 2187.00]
Inp	2187.00		NIST
Inp	2187.00		NIST
Tfus	363.73	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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, Log10 of Water solubility in mol/l 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	[578.21; 668.33]	J/mol×K	[716.97; 965.13]
Cp,gas	578.21	J/mol×K	716.97	Joback Calculated Property
Cp,gas	596.98	J/mol×K	758.33	Joback Calculated Property
Cp,gas	614.12	J/mol×K	799.69	Joback Calculated Property
Cp,gas	629.73	J/mol×K	841.05	Joback Calculated Property
Cp,gas	643.91	J/mol×K	882.41	Joback Calculated Property
Cp,gas	656.74	J/mol×K	923.77	Joback Calculated Property
Cp,gas	668.33	J/mol×K	965.13	Joback Calculated Property
η	[0.0001834; 0.0018228]	Pa×s	[402.70; 716.97]
η	0.0018228	Pa×s	402.70	Joback Calculated Property
η	0.0009974	Pa×s	455.08	Joback Calculated Property
η	0.0006181	Pa×s	507.46	Joback Calculated Property
η	0.0004189	Pa×s	559.84	Joback Calculated Property
η	0.0003035	Pa×s	612.21	Joback Calculated Property
η	0.0002313	Pa×s	664.59	Joback Calculated Property
η	0.0001834	Pa×s	716.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanecarboxylic acid, 2-naphthyl 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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