Chemical Properties of Succinic acid, naphth-2-ylmethyl 4-methylpent-2-yl ester

InChI

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

InChI Key

RSYUXPWBCBONGW-UHFFFAOYSA-N

Formula

C21H26O4

SMILES

CC(C)CC(C)OC(=O)CCC(=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°	42.51	kJ/mol	Joback Calculated Property
IE	8.09	eV	Relay (1.0) Calculated Property
logPoct/wat	4.641		Crippen Calculated Property
McVol	278.410	ml/mol	McGowan Calculated Property
Inp	[2663.00; 2663.00]
Inp	2663.00		NIST
Inp	2663.00		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	[387.31; 907.68]	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			-1.97960e+01
Coefficient B			1.75896e+00
Coefficient C			-1.03668e-03
Coefficient D			2.05200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	387.31	J/mol×K	273.00	Calculated Property
Cp,gas	481.82	J/mol×K	353.78	Calculated Property
Cp,gas	565.64	J/mol×K	434.56	Calculated Property
Cp,gas	639.43	J/mol×K	515.33	Calculated Property
Cp,gas	703.82	J/mol×K	596.11	Calculated Property
Cp,gas	759.48	J/mol×K	676.89	Calculated Property
Cp,gas	807.04	J/mol×K	757.67	Calculated Property
Cp,gas	847.17	J/mol×K	838.44	Calculated Property
Cp,gas	880.50	J/mol×K	919.22	Calculated Property
Cp,gas	907.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011032; 0.0000967]	Pa×s	[452.73; 741.89]	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			-1.30549e+01
Coefficient B			2.82748e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			452.73
Temperature range, max.			741.89
η	0.0011032	Pa×s	452.73	Calculated Property
η	0.0007293	Pa×s	484.86	Calculated Property
η	0.0005076	Pa×s	516.99	Calculated Property
η	0.0003686	Pa×s	549.12	Calculated Property
η	0.0002773	Pa×s	581.24	Calculated Property
η	0.0002149	Pa×s	613.37	Calculated Property
η	0.0001709	Pa×s	645.50	Calculated Property
η	0.0001388	Pa×s	677.63	Calculated Property
η	0.0001149	Pa×s	709.76	Calculated Property
η	0.0000967	Pa×s	741.89	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, naphth-2-ylmethyl 4-methylpent-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

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