Chemical Properties of Glutaric acid, 1-cyclopentylethyl naphth-2-ylmethyl ester

InChI

InChI=1S/C23H28O4/c1-17(19-7-2-3-8-19)27-23(25)12-6-11-22(24)26-16-18-13-14-20-9-4-5-10-21(20)15-18/h4-5,9-10,13-15,17,19H,2-3,6-8,11-12,16H2,1H3

InChI Key

DUOIMAUZCWTXHU-UHFFFAOYSA-N

Formula

C23H28O4

SMILES

CC(OC(=O)CCCC(=O)OCc1ccc2ccccc2c1)C1CCCC1

Molecular Weight¹

368.47

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	45.15	kJ/mol	Joback Calculated Property
logPoct/wat	5.175		Crippen Calculated Property
McVol	295.730	ml/mol	McGowan Calculated Property
Inp	[3029.00; 3029.00]
Inp	3029.00		NIST
Inp	3029.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Ionization energy, 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	[396.83; 993.62]	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			-8.04160e+01
Coefficient B			2.07472e+00
Coefficient C			-1.26968e-03
Coefficient D			2.69000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	396.83	J/mol×K	273.00	Calculated Property
Cp,gas	506.57	J/mol×K	353.78	Calculated Property
Cp,gas	603.47	J/mol×K	434.56	Calculated Property
Cp,gas	688.38	J/mol×K	515.33	Calculated Property
Cp,gas	762.15	J/mol×K	596.11	Calculated Property
Cp,gas	825.63	J/mol×K	676.89	Calculated Property
Cp,gas	879.66	J/mol×K	757.67	Calculated Property
Cp,gas	925.10	J/mol×K	838.44	Calculated Property
Cp,gas	962.81	J/mol×K	919.22	Calculated Property
Cp,gas	993.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010004; 0.0001195]	Pa×s	[501.17; 793.79]	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			-1.26716e+01
Coefficient B			2.88888e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			501.17
Temperature range, max.			793.79
η	0.0010004	Pa×s	501.17	Calculated Property
η	0.0007041	Pa×s	533.68	Calculated Property
η	0.0005160	Pa×s	566.20	Calculated Property
η	0.0003911	Pa×s	598.71	Calculated Property
η	0.0003051	Pa×s	631.23	Calculated Property
η	0.0002438	Pa×s	663.74	Calculated Property
η	0.0001990	Pa×s	696.25	Calculated Property
η	0.0001653	Pa×s	728.77	Calculated Property
η	0.0001396	Pa×s	761.28	Calculated Property
η	0.0001195	Pa×s	793.79	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1-cyclopentylethyl naphth-2-ylmethyl 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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