Chemical Properties of Succinic acid, naphth-2-ylmethyl 3,3-dimethylbut-2-yl ester

InChI

InChI=1S/C21H26O4/c1-15(21(2,3)4)25-20(23)12-11-19(22)24-14-16-9-10-17-7-5-6-8-18(17)13-16/h5-10,13,15H,11-12,14H2,1-4H3

InChI Key

VOJCQFSLLNSEFU-UHFFFAOYSA-N

Formula

C21H26O4

SMILES

CC(OC(=O)CCC(=O)OCc1ccc2ccccc2c1)C(C)(C)C

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).
• 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°	38.62	kJ/mol	Joback Calculated Property
logPoct/wat	4.641		Crippen Calculated Property
McVol	278.410	ml/mol	McGowan Calculated Property
Inp	[2698.00; 2698.00]
Inp	2698.00		NIST
Inp	2698.00		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	[386.17; 908.61]	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			-4.25870e+01
Coefficient B			1.87888e+00
Coefficient C			-1.20528e-03
Coefficient D			2.77600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	386.17	J/mol×K	273.00	Calculated Property
Cp,gas	483.56	J/mol×K	353.78	Calculated Property
Cp,gas	569.07	J/mol×K	434.56	Calculated Property
Cp,gas	643.57	J/mol×K	515.33	Calculated Property
Cp,gas	707.94	J/mol×K	596.11	Calculated Property
Cp,gas	763.07	J/mol×K	676.89	Calculated Property
Cp,gas	809.82	J/mol×K	757.67	Calculated Property
Cp,gas	849.07	J/mol×K	838.44	Calculated Property
Cp,gas	881.71	J/mol×K	919.22	Calculated Property
Cp,gas	908.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009030; 0.0000845]	Pa×s	[470.15; 743.29]	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			-1.34549e+01
Coefficient B			3.03020e+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.			470.15
Temperature range, max.			743.29
η	0.0009030	Pa×s	470.15	Calculated Property
η	0.0006109	Pa×s	500.50	Calculated Property
η	0.0004322	Pa×s	530.85	Calculated Property
η	0.0003174	Pa×s	561.20	Calculated Property
η	0.0002406	Pa×s	591.54	Calculated Property
η	0.0001874	Pa×s	621.89	Calculated Property
η	0.0001494	Pa×s	652.24	Calculated Property
η	0.0001215	Pa×s	682.59	Calculated Property
η	0.0001006	Pa×s	712.94	Calculated Property
η	0.0000845	Pa×s	743.29	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, naphth-2-ylmethyl 3,3-dimethylbut-2-yl 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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