Chemical Properties of Succinic acid, naphth-2-ylmethyl tetrahydrofurfuryl ester

InChI

InChI=1S/C20H22O5/c21-19(9-10-20(22)25-14-18-6-3-11-23-18)24-13-15-7-8-16-4-1-2-5-17(16)12-15/h1-2,4-5,7-8,12,18H,3,6,9-11,13-14H2

InChI Key

GKFACCNMXKWMAW-UHFFFAOYSA-N

Formula

C20H22O5

SMILES

O=C(CCC(=O)OCC1CCCO1)OCc1ccc2ccccc2c1

Molecular Weight¹

342.39

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	48.88	kJ/mol	Joback Calculated Property
logPoct/wat	3.385		Crippen Calculated Property
McVol	259.330	ml/mol	McGowan Calculated Property
Inp	[2527.00; 2527.00]
Inp	2527.00		NIST
Inp	2527.00		NIST
Tboil	712.80	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[350.86; 857.83]	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			-5.86860e+01
Coefficient B			1.78080e+00
Coefficient C			-1.08938e-03
Coefficient D			2.25100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	350.86	J/mol×K	273.00	Calculated Property
Cp,gas	444.94	J/mol×K	353.78	Calculated Property
Cp,gas	527.93	J/mol×K	434.56	Calculated Property
Cp,gas	600.52	J/mol×K	515.33	Calculated Property
Cp,gas	663.44	J/mol×K	596.11	Calculated Property
Cp,gas	717.40	J/mol×K	676.89	Calculated Property
Cp,gas	763.10	J/mol×K	757.67	Calculated Property
Cp,gas	801.27	J/mol×K	838.44	Calculated Property
Cp,gas	832.61	J/mol×K	919.22	Calculated Property
Cp,gas	857.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010330; 0.0001634]	Pa×s	[508.93; 766.13]	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			-1.23680e+01
Coefficient B			2.79545e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			508.93
Temperature range, max.			766.13
η	0.0010330	Pa×s	508.93	Calculated Property
η	0.0007714	Pa×s	537.51	Calculated Property
η	0.0005933	Pa×s	566.09	Calculated Property
η	0.0004679	Pa×s	594.66	Calculated Property
η	0.0003772	Pa×s	623.24	Calculated Property
η	0.0003099	Pa×s	651.82	Calculated Property
η	0.0002588	Pa×s	680.40	Calculated Property
η	0.0002193	Pa×s	708.97	Calculated Property
η	0.0001882	Pa×s	737.55	Calculated Property
η	0.0001634	Pa×s	766.13	Calculated Property

Similar Compounds

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