Chemical Properties of 3-Cyclopentylpropionic acid, 2-naphthyl ester

InChI

InChI=1S/C18H20O2/c19-18(12-9-14-5-1-2-6-14)20-17-11-10-15-7-3-4-8-16(15)13-17/h3-4,7-8,10-11,13-14H,1-2,5-6,9,12H2

InChI Key

AWDSCFKWFVOHGC-UHFFFAOYSA-N

Formula

C18H20O2

SMILES

O=C(CCC1CCCC1)Oc1ccc2ccccc2c1

Molecular Weight¹

268.35

• 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

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	[274.74; 727.02]	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			-9.95980e+01
Coefficient B			1.64860e+00
Coefficient C			-1.08908e-03
Coefficient D			2.67100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	274.74	J/mol×K	273.00	Calculated Property
Cp,gas	359.16	J/mol×K	353.78	Calculated Property
Cp,gas	433.07	J/mol×K	434.56	Calculated Property
Cp,gas	497.31	J/mol×K	515.33	Calculated Property
Cp,gas	552.73	J/mol×K	596.11	Calculated Property
Cp,gas	600.17	J/mol×K	676.89	Calculated Property
Cp,gas	640.47	J/mol×K	757.67	Calculated Property
Cp,gas	674.48	J/mol×K	838.44	Calculated Property
Cp,gas	703.05	J/mol×K	919.22	Calculated Property
Cp,gas	727.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017913; 0.0002843]	Pa×s	[417.49; 679.99]	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			-1.10927e+01
Coefficient B			1.99054e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			417.49
Temperature range, max.			679.99
η	0.0017913	Pa×s	417.49	Calculated Property
η	0.0013121	Pa×s	446.66	Calculated Property
η	0.0009984	Pa×s	475.82	Calculated Property
η	0.0007841	Pa×s	504.99	Calculated Property
η	0.0006323	Pa×s	534.16	Calculated Property
η	0.0005213	Pa×s	563.33	Calculated Property
η	0.0004381	Pa×s	592.49	Calculated Property
η	0.0003742	Pa×s	621.66	Calculated Property
η	0.0003242	Pa×s	650.83	Calculated Property
η	0.0002843	Pa×s	679.99	Calculated Property

Similar Compounds

Find more compounds similar to 3-Cyclopentylpropionic 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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