Chemical Properties of Succinic acid, 3-methylbut-2-yl 2-naphthylmethyl ester

InChI

InChI=1S/C20H24O4/c1-14(2)15(3)24-20(22)11-10-19(21)23-13-16-8-9-17-6-4-5-7-18(17)12-16/h4-9,12,14-15H,10-11,13H2,1-3H3

InChI Key

RCGHOTDOGAHXDC-UHFFFAOYSA-N

Formula

C20H24O4

SMILES

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

Molecular Weight¹

328.40

• 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°	39.92	kJ/mol	Joback Calculated Property
IE	8.11	eV	Relay (1.0) Calculated Property
logPoct/wat	4.251		Crippen Calculated Property
McVol	264.320	ml/mol	McGowan Calculated Property
Inp	[2592.00; 2592.00]
Inp	2592.00		NIST
Inp	2592.00		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	[366.10; 856.09]	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			-1.88870e+01
Coefficient B			1.66396e+00
Coefficient C			-9.82280e-04
Coefficient D			1.93300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	366.10	J/mol×K	273.00	Calculated Property
Cp,gas	455.40	J/mol×K	353.78	Calculated Property
Cp,gas	534.57	J/mol×K	434.56	Calculated Property
Cp,gas	604.20	J/mol×K	515.33	Calculated Property
Cp,gas	664.91	J/mol×K	596.11	Calculated Property
Cp,gas	717.32	J/mol×K	676.89	Calculated Property
Cp,gas	762.03	J/mol×K	757.67	Calculated Property
Cp,gas	799.65	J/mol×K	838.44	Calculated Property
Cp,gas	830.80	J/mol×K	919.22	Calculated Property
Cp,gas	856.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012233; 0.0001076]	Pa×s	[441.46; 726.81]	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			-1.28977e+01
Coefficient B			2.73332e+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.			441.46
Temperature range, max.			726.81
η	0.0012233	Pa×s	441.46	Calculated Property
η	0.0008079	Pa×s	473.17	Calculated Property
η	0.0005621	Pa×s	504.87	Calculated Property
η	0.0004082	Pa×s	536.58	Calculated Property
η	0.0003072	Pa×s	568.28	Calculated Property
η	0.0002383	Pa×s	599.99	Calculated Property
η	0.0001896	Pa×s	631.69	Calculated Property
η	0.0001542	Pa×s	663.40	Calculated Property
η	0.0001277	Pa×s	695.10	Calculated Property
η	0.0001076	Pa×s	726.81	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-yl 2-naphthylmethyl 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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