Chemical Properties of Glutaric acid, naphth-2-ylmethyl neopentyl ester

InChI

InChI=1S/C21H26O4/c1-21(2,3)15-25-20(23)10-6-9-19(22)24-14-16-11-12-17-7-4-5-8-18(17)13-16/h4-5,7-8,11-13H,6,9-10,14-15H2,1-3H3

InChI Key

HTPIODHRONTVMT-UHFFFAOYSA-N

Formula

C21H26O4

SMILES

CC(C)(C)COC(=O)CCCC(=O)OCc1ccc2ccccc2c1

Molecular Weight¹

342.43

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	42.14	kJ/mol	Joback Calculated Property
IE	8.07	eV	Relay (1.0) Calculated Property
logPoct/wat	4.643		Crippen Calculated Property
McVol	278.410	ml/mol	McGowan Calculated Property
Inp	[2690.00; 2690.00]
Inp	2690.00		NIST
Inp	2690.00		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, 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	[386.48; 908.08]	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			-4.09050e+01
Coefficient B			1.87296e+00
Coefficient C			-1.20208e-03
Coefficient D			2.78100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	386.48	J/mol×K	273.00	Calculated Property
Cp,gas	483.57	J/mol×K	353.78	Calculated Property
Cp,gas	568.82	J/mol×K	434.56	Calculated Property
Cp,gas	643.12	J/mol×K	515.33	Calculated Property
Cp,gas	707.34	J/mol×K	596.11	Calculated Property
Cp,gas	762.36	J/mol×K	676.89	Calculated Property
Cp,gas	809.07	J/mol×K	757.67	Calculated Property
Cp,gas	848.34	J/mol×K	838.44	Calculated Property
Cp,gas	881.04	J/mol×K	919.22	Calculated Property
Cp,gas	908.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007825; 0.0000927]	Pa×s	[485.15; 741.68]	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			-1.33209e+01
Coefficient B			2.99238e+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.			485.15
Temperature range, max.			741.68
η	0.0007825	Pa×s	485.15	Calculated Property
η	0.0005557	Pa×s	513.65	Calculated Property
η	0.0004091	Pa×s	542.16	Calculated Property
η	0.0003105	Pa×s	570.66	Calculated Property
η	0.0002420	Pa×s	599.16	Calculated Property
η	0.0001929	Pa×s	627.67	Calculated Property
η	0.0001568	Pa×s	656.17	Calculated Property
η	0.0001297	Pa×s	684.68	Calculated Property
η	0.0001089	Pa×s	713.18	Calculated Property
η	0.0000927	Pa×s	741.68	Calculated Property

Similar Compounds

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