Chemical Properties of Adipic acid, cis-non-3-enyl dodecyl ester

InChI

InChI=1S/C27H50O4/c1-3-5-7-9-11-12-13-15-17-21-25-31-27(29)23-19-18-22-26(28)30-24-20-16-14-10-8-6-4-2/h14,16H,3-13,15,17-25H2,1-2H3/b16-14-

InChI Key

FYRHOMPCEBFRDY-PEZBUJJGSA-N

Formula

C27H50O4

SMILES

CCCCCC=CCCOC(=O)CCCCC(=O)OCCCCCCCCCCCC

Molecular Weight¹

438.68

• 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).
• IE : Ionization energy (eV).
• 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 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	[596.92; 1397.92]	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			1.49810e+01
Coefficient B			2.47924e+00
Coefficient C			-1.33960e-03
Coefficient D			2.43300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	596.92	J/mol×K	273.00	Calculated Property
Cp,gas	735.19	J/mol×K	353.78	Calculated Property
Cp,gas	859.35	J/mol×K	434.56	Calculated Property
Cp,gas	970.16	J/mol×K	515.33	Calculated Property
Cp,gas	1068.40	J/mol×K	596.11	Calculated Property
Cp,gas	1154.83	J/mol×K	676.89	Calculated Property
Cp,gas	1230.23	J/mol×K	757.67	Calculated Property
Cp,gas	1295.37	J/mol×K	838.44	Calculated Property
Cp,gas	1351.01	J/mol×K	919.22	Calculated Property
Cp,gas	1397.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005354; 0.0000229]	Pa×s	[473.63; 807.96]	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			-1.51512e+01
Coefficient B			3.60844e+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.			473.63
Temperature range, max.			807.96
η	0.0005354	Pa×s	473.63	Calculated Property
η	0.0003076	Pa×s	510.78	Calculated Property
η	0.0001906	Pa×s	547.92	Calculated Property
η	0.0001254	Pa×s	585.07	Calculated Property
η	0.0000868	Pa×s	622.22	Calculated Property
η	0.0000626	Pa×s	659.37	Calculated Property
η	0.0000468	Pa×s	696.51	Calculated Property
η	0.0000360	Pa×s	733.66	Calculated Property
η	0.0000284	Pa×s	770.81	Calculated Property
η	0.0000229	Pa×s	807.96	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, cis-non-3-enyl dodecyl ester.

Sources

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

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