Chemical Properties of Glutaric acid, naphth-2-ylmethyl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C24H32O4/c1-18(15-24(2,3)4)16-27-22(25)10-7-11-23(26)28-17-19-12-13-20-8-5-6-9-21(20)14-19/h5-6,8-9,12-14,18H,7,10-11,15-17H2,1-4H3

InChI Key

WYKCMDUXULXVRU-UHFFFAOYSA-N

Formula

C24H32O4

SMILES

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

Molecular Weight¹

384.51

• 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°	46.39	kJ/mol	Joback Calculated Property
logPoct/wat	5.669		Crippen Calculated Property
McVol	320.680	ml/mol	McGowan Calculated Property
Inp	[2952.00; 2952.00]
Inp	2952.00		NIST
Inp	2952.00		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	[449.81; 1063.39]	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			-4.53140e+01
Coefficient B			2.16388e+00
Coefficient C			-1.36848e-03
Coefficient D			3.13300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	449.81	J/mol×K	273.00	Calculated Property
Cp,gas	562.81	J/mol×K	353.78	Calculated Property
Cp,gas	662.30	J/mol×K	434.56	Calculated Property
Cp,gas	749.26	J/mol×K	515.33	Calculated Property
Cp,gas	824.68	J/mol×K	596.11	Calculated Property
Cp,gas	889.55	J/mol×K	676.89	Calculated Property
Cp,gas	944.87	J/mol×K	757.67	Calculated Property
Cp,gas	991.62	J/mol×K	838.44	Calculated Property
Cp,gas	1030.79	J/mol×K	919.22	Calculated Property
Cp,gas	1063.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006345; 0.0000587]	Pa×s	[503.96; 790.08]	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			-1.39360e+01
Coefficient B			3.31268e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			503.96
Temperature range, max.			790.08
η	0.0006345	Pa×s	503.96	Calculated Property
η	0.0004296	Pa×s	535.75	Calculated Property
η	0.0003038	Pa×s	567.54	Calculated Property
η	0.0002229	Pa×s	599.33	Calculated Property
η	0.0001687	Pa×s	631.12	Calculated Property
η	0.0001312	Pa×s	662.91	Calculated Property
η	0.0001044	Pa×s	694.70	Calculated Property
η	0.0000847	Pa×s	726.49	Calculated Property
η	0.0000700	Pa×s	758.29	Calculated Property
η	0.0000587	Pa×s	790.08	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, naphth-2-ylmethyl 2,4,4-trimethylpentyl 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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