Chemical Properties of Fumaric acid, 2-isopropylphenyl 2-methylpent-3-yl ester

InChI

InChI=1S/C19H26O4/c1-6-16(14(4)5)22-18(20)11-12-19(21)23-17-10-8-7-9-15(17)13(2)3/h7-14,16H,6H2,1-5H3/b12-11+

InChI Key

QKMKMZYRKCFOAQ-VAWYXSNFSA-N

Formula

C19H26O4

SMILES

CCC(OC(=O)/C=C/C(=O)Oc1ccccc1C(C)C)C(C)C

Molecular Weight¹

318.41

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[371.57; 865.24]	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			-2.39900e+00
Coefficient B			1.59860e+00
Coefficient C			-8.78160e-04
Coefficient D			1.47200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	371.57	J/mol×K	273.00	Calculated Property
Cp,gas	459.76	J/mol×K	353.78	Calculated Property
Cp,gas	538.53	J/mol×K	434.56	Calculated Property
Cp,gas	608.35	J/mol×K	515.33	Calculated Property
Cp,gas	669.67	J/mol×K	596.11	Calculated Property
Cp,gas	722.97	J/mol×K	676.89	Calculated Property
Cp,gas	768.72	J/mol×K	757.67	Calculated Property
Cp,gas	807.36	J/mol×K	838.44	Calculated Property
Cp,gas	839.38	J/mol×K	919.22	Calculated Property
Cp,gas	865.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019244; 0.0000541]	Pa×s	[377.41; 694.88]	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			-1.40717e+01
Coefficient B			2.95078e+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.			377.41
Temperature range, max.			694.88
η	0.0019244	Pa×s	377.41	Calculated Property
η	0.0009864	Pa×s	412.68	Calculated Property
η	0.0005617	Pa×s	447.96	Calculated Property
η	0.0003473	Pa×s	483.23	Calculated Property
η	0.0002292	Pa×s	518.51	Calculated Property
η	0.0001595	Pa×s	553.78	Calculated Property
η	0.0001160	Pa×s	589.06	Calculated Property
η	0.0000874	Pa×s	624.33	Calculated Property
η	0.0000679	Pa×s	659.61	Calculated Property
η	0.0000541	Pa×s	694.88	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-isopropylphenyl 2-methylpent-3-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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