Chemical Properties of Fumaric acid, 2-pentyl naphth-2-ylmethyl ester

InChI

InChI=1S/C20H22O4/c1-3-6-15(2)24-20(22)12-11-19(21)23-14-16-9-10-17-7-4-5-8-18(17)13-16/h4-5,7-13,15H,3,6,14H2,1-2H3/b12-11+

InChI Key

TVVDUBSOBJONGT-VAWYXSNFSA-N

Formula

C20H22O4

SMILES

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

Molecular Weight¹

326.39

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	43.64	kJ/mol	Joback Calculated Property
logPoct/wat	4.171		Crippen Calculated Property
McVol	260.020	ml/mol	McGowan Calculated Property
Inp	[2590.00; 2590.00]
Inp	2590.00		NIST
Inp	2590.00		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	[352.41; 824.97]	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			-3.13870e+01
Coefficient B			1.67804e+00
Coefficient C			-1.06288e-03
Coefficient D			2.41200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	352.41	J/mol×K	273.00	Calculated Property
Cp,gas	439.92	J/mol×K	353.78	Calculated Property
Cp,gas	516.89	J/mol×K	434.56	Calculated Property
Cp,gas	584.11	J/mol×K	515.33	Calculated Property
Cp,gas	642.31	J/mol×K	596.11	Calculated Property
Cp,gas	692.28	J/mol×K	676.89	Calculated Property
Cp,gas	734.76	J/mol×K	757.67	Calculated Property
Cp,gas	770.53	J/mol×K	838.44	Calculated Property
Cp,gas	800.35	J/mol×K	919.22	Calculated Property
Cp,gas	824.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009713; 0.0001003]	Pa×s	[451.38; 732.23]	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			-1.28559e+01
Coefficient B			2.67174e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			451.38
Temperature range, max.			732.23
η	0.0009713	Pa×s	451.38	Calculated Property
η	0.0006624	Pa×s	482.59	Calculated Property
η	0.0004733	Pa×s	513.79	Calculated Property
η	0.0003514	Pa×s	545.00	Calculated Property
η	0.0002695	Pa×s	576.20	Calculated Property
η	0.0002123	Pa×s	607.41	Calculated Property
η	0.0001713	Pa×s	638.61	Calculated Property
η	0.0001409	Pa×s	669.82	Calculated Property
η	0.0001180	Pa×s	701.02	Calculated Property
η	0.0001003	Pa×s	732.23	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-pentyl naphth-2-ylmethyl 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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