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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[248.63; 677.21]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.03810e+02
Coefficient B			1.54400e+00
Coefficient C			-9.88280e-04
Coefficient D			2.25300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	248.63	J/mol×K	273.00	Calculated Property
Cp,gas	328.71	J/mol×K	353.78	Calculated Property
Cp,gas	399.01	J/mol×K	434.56	Calculated Property
Cp,gas	460.24	J/mol×K	515.33	Calculated Property
Cp,gas	513.13	J/mol×K	596.11	Calculated Property
Cp,gas	558.37	J/mol×K	676.89	Calculated Property
Cp,gas	596.69	J/mol×K	757.67	Calculated Property
Cp,gas	628.79	J/mol×K	838.44	Calculated Property
Cp,gas	655.40	J/mol×K	919.22	Calculated Property
Cp,gas	677.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018228; 0.0002196]	Pa×s	[402.70; 675.59]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.15464e+01
Coefficient B			2.10975e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			402.70
Temperature range, max.			675.59
η	0.0018228	Pa×s	402.70	Calculated Property
η	0.0012631	Pa×s	433.02	Calculated Property
η	0.0009183	Pa×s	463.34	Calculated Property
η	0.0006942	Pa×s	493.66	Calculated Property
η	0.0005421	Pa×s	523.98	Calculated Property
η	0.0004350	Pa×s	554.30	Calculated Property
η	0.0003570	Pa×s	584.63	Calculated Property
η	0.0002988	Pa×s	614.95	Calculated Property
η	0.0002544	Pa×s	645.27	Calculated Property
η	0.0002196	Pa×s	675.59	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

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