Chemical Properties of Fumaric acid, 3-hexyl nonyl ester

InChI

InChI=1S/C19H34O4/c1-4-7-8-9-10-11-12-16-22-18(20)14-15-19(21)23-17(6-3)13-5-2/h14-15,17H,4-13,16H2,1-3H3/b15-14+

InChI Key

RXHRBCRVUXPXLV-CCEZHUSRSA-N

Formula

C19H34O4

SMILES

CCCCCCCCCOC(=O)/C=C/C(=O)OC(CC)CCC

Molecular Weight¹

326.48

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 Volume, 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	[426.90; 985.73]	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			2.05710e+01
Coefficient B			1.72516e+00
Coefficient C			-9.07600e-04
Coefficient D			1.47600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	426.90	J/mol×K	273.00	Calculated Property
Cp,gas	523.84	J/mol×K	353.78	Calculated Property
Cp,gas	610.97	J/mol×K	434.56	Calculated Property
Cp,gas	688.77	J/mol×K	515.33	Calculated Property
Cp,gas	757.71	J/mol×K	596.11	Calculated Property
Cp,gas	818.25	J/mol×K	676.89	Calculated Property
Cp,gas	870.85	J/mol×K	757.67	Calculated Property
Cp,gas	915.99	J/mol×K	838.44	Calculated Property
Cp,gas	954.13	J/mol×K	919.22	Calculated Property
Cp,gas	985.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021607; 0.0000703]	Pa×s	[368.47; 653.64]	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			-1.39886e+01
Coefficient B			2.89298e+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.			368.47
Temperature range, max.			653.64
η	0.0021607	Pa×s	368.47	Calculated Property
η	0.0011604	Pa×s	400.16	Calculated Property
η	0.0006827	Pa×s	431.84	Calculated Property
η	0.0004319	Pa×s	463.53	Calculated Property
η	0.0002897	Pa×s	495.21	Calculated Property
η	0.0002039	Pa×s	526.90	Calculated Property
η	0.0001493	Pa×s	558.59	Calculated Property
η	0.0001131	Pa×s	590.27	Calculated Property
η	0.0000881	Pa×s	621.96	Calculated Property
η	0.0000703	Pa×s	653.64	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 3-hexyl nonyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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