Chemical Properties of Fumaric acid, naphth-2-yl 3-methylbut-2-yl ester

InChI

InChI=1S/C19H20O4/c1-13(2)14(3)22-18(20)10-11-19(21)23-17-9-8-15-6-4-5-7-16(15)12-17/h4-14H,1-3H3/b11-10+

InChI Key

AOQROGSMGOYKKL-ZHACJKMWSA-N

Formula

C19H20O4

SMILES

CC(C)C(C)OC(=O)/C=C/C(=O)Oc1ccc2ccccc2c1

Molecular Weight¹

312.36

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

Physical Properties

Cheméo can also estimate 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	[330.88; 773.92]	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			-3.21600e+01
Coefficient B			1.58896e+00
Coefficient C			-1.01168e-03
Coefficient D			2.28800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	330.88	J/mol×K	273.00	Calculated Property
Cp,gas	413.49	J/mol×K	353.78	Calculated Property
Cp,gas	486.06	J/mol×K	434.56	Calculated Property
Cp,gas	549.33	J/mol×K	515.33	Calculated Property
Cp,gas	604.00	J/mol×K	596.11	Calculated Property
Cp,gas	650.82	J/mol×K	676.89	Calculated Property
Cp,gas	690.49	J/mol×K	757.67	Calculated Property
Cp,gas	723.75	J/mol×K	838.44	Calculated Property
Cp,gas	751.32	J/mol×K	919.22	Calculated Property
Cp,gas	773.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012526; 0.0001009]	Pa×s	[425.11; 719.80]	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			-1.28348e+01
Coefficient B			2.61540e+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.			425.11
Temperature range, max.			719.80
η	0.0012526	Pa×s	425.11	Calculated Property
η	0.0008067	Pa×s	457.85	Calculated Property
η	0.0005510	Pa×s	490.60	Calculated Property
η	0.0003947	Pa×s	523.34	Calculated Property
η	0.0002941	Pa×s	556.08	Calculated Property
η	0.0002264	Pa×s	588.83	Calculated Property
η	0.0001792	Pa×s	621.57	Calculated Property
η	0.0001452	Pa×s	654.31	Calculated Property
η	0.0001200	Pa×s	687.06	Calculated Property
η	0.0001009	Pa×s	719.80	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, naphth-2-yl 3-methylbut-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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