Chemical Properties of Fumaric acid, 2-phenethyl hept-2-yl ester

InChI

InChI=1S/C19H26O4/c1-3-4-6-9-16(2)23-19(21)13-12-18(20)22-15-14-17-10-7-5-8-11-17/h5,7-8,10-13,16H,3-4,6,9,14-15H2,1-2H3/b13-12+

InChI Key

NAZVGKODDTWYIY-OUKQBFOZSA-N

Formula

C19H26O4

SMILES

CCCCCC(C)OC(=O)/C=C/C(=O)OCCc1ccccc1

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).
• Δ_vapH° : Enthalpy of vaporization 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).
• 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, 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	[369.64; 867.21]	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			-1.33340e+01
Coefficient B			1.64624e+00
Coefficient C			-9.38800e-04
Coefficient D			1.73100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	369.64	J/mol×K	273.00	Calculated Property
Cp,gas	459.23	J/mol×K	353.78	Calculated Property
Cp,gas	538.97	J/mol×K	434.56	Calculated Property
Cp,gas	609.40	J/mol×K	515.33	Calculated Property
Cp,gas	671.07	J/mol×K	596.11	Calculated Property
Cp,gas	724.53	J/mol×K	676.89	Calculated Property
Cp,gas	770.33	J/mol×K	757.67	Calculated Property
Cp,gas	809.01	J/mol×K	838.44	Calculated Property
Cp,gas	841.12	J/mol×K	919.22	Calculated Property
Cp,gas	867.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015231; 0.0000649]	Pa×s	[394.89; 687.69]	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			-1.38977e+01
Coefficient B			2.92640e+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.			394.89
Temperature range, max.			687.69
η	0.0015231	Pa×s	394.89	Calculated Property
η	0.0008665	Pa×s	427.42	Calculated Property
η	0.0005339	Pa×s	459.96	Calculated Property
η	0.0003507	Pa×s	492.49	Calculated Property
η	0.0002427	Pa×s	525.03	Calculated Property
η	0.0001753	Pa×s	557.56	Calculated Property
η	0.0001312	Pa×s	590.09	Calculated Property
η	0.0001013	Pa×s	622.63	Calculated Property
η	0.0000802	Pa×s	655.16	Calculated Property
η	0.0000649	Pa×s	687.69	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-phenethyl hept-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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