Chemical Properties of Succinic acid, isohexyl trans-hex-3-enyl ester

InChI

InChI=1S/C16H28O4/c1-4-5-6-7-12-19-15(17)10-11-16(18)20-13-8-9-14(2)3/h5-6,14H,4,7-13H2,1-3H3/b6-5+

InChI Key

JPSMSFPZQBRHIJ-AATRIKPKSA-N

Formula

C16H28O4

SMILES

CCC=CCCOC(=O)CCC(=O)OCCCC(C)C

Molecular Weight¹

284.39

• 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).
• 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_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 Pressure, Critical Volume, 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	[363.26; 830.96]	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			2.32980e+01
Coefficient B			1.44016e+00
Coefficient C			-7.44400e-04
Coefficient D			1.11900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	363.26	J/mol×K	273.00	Calculated Property
Cp,gas	444.58	J/mol×K	353.78	Calculated Property
Cp,gas	517.74	J/mol×K	434.56	Calculated Property
Cp,gas	583.09	J/mol×K	515.33	Calculated Property
Cp,gas	640.98	J/mol×K	596.11	Calculated Property
Cp,gas	691.76	J/mol×K	676.89	Calculated Property
Cp,gas	735.80	J/mol×K	757.67	Calculated Property
Cp,gas	773.44	J/mol×K	838.44	Calculated Property
Cp,gas	805.04	J/mol×K	919.22	Calculated Property
Cp,gas	830.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032497; 0.0000999]	Pa×s	[334.66; 604.55]	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			-1.35296e+01
Coefficient B			2.61050e+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.			334.66
Temperature range, max.			604.55
η	0.0032497	Pa×s	334.66	Calculated Property
η	0.0017110	Pa×s	364.65	Calculated Property
η	0.0009931	Pa×s	394.64	Calculated Property
η	0.0006225	Pa×s	424.62	Calculated Property
η	0.0004149	Pa×s	454.61	Calculated Property
η	0.0002909	Pa×s	484.60	Calculated Property
η	0.0002125	Pa×s	514.59	Calculated Property
η	0.0001607	Pa×s	544.57	Calculated Property
η	0.0001251	Pa×s	574.56	Calculated Property
η	0.0000999	Pa×s	604.55	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, isohexyl trans-hex-3-enyl 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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