Chemical Properties of Succinic acid, 3-methylbut-2-yl 3-hexyl ester

InChI

InChI=1S/C15H28O4/c1-6-8-13(7-2)19-15(17)10-9-14(16)18-12(5)11(3)4/h11-13H,6-10H2,1-5H3

InChI Key

DJNRECWAXCLCNX-UHFFFAOYSA-N

Formula

C15H28O4

SMILES

CCCC(CC)OC(=O)CCC(=O)OC(C)C(C)C

Molecular Weight¹

272.38

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1008.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.77	kJ/mol	Joback Calculated Property
ΔvapH°	76.92	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.476		Crippen Calculated Property
McVol	237.090	ml/mol	McGowan Calculated Property
Inp	[1656.00; 1656.00]
Inp	1656.00		NIST
Inp	1656.00		NIST
Tboil	543.73	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, 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	[355.42; 811.02]	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			3.50250e+01
Coefficient B			1.33700e+00
Coefficient C			-6.12600e-04
Coefficient D			5.16000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	355.42	J/mol×K	273.00	Calculated Property
Cp,gas	433.64	J/mol×K	353.78	Calculated Property
Cp,gas	504.58	J/mol×K	434.56	Calculated Property
Cp,gas	568.40	J/mol×K	515.33	Calculated Property
Cp,gas	625.27	J/mol×K	596.11	Calculated Property
Cp,gas	675.35	J/mol×K	676.89	Calculated Property
Cp,gas	718.80	J/mol×K	757.67	Calculated Property
Cp,gas	755.79	J/mol×K	838.44	Calculated Property
Cp,gas	786.48	J/mol×K	919.22	Calculated Property
Cp,gas	811.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0082962; 0.0001134]	Pa×s	[298.47; 585.05]	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			-1.35558e+01
Coefficient B			2.61574e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			298.47
Temperature range, max.			585.05
η	0.0082962	Pa×s	298.47	Calculated Property
η	0.0035643	Pa×s	330.31	Calculated Property
η	0.0017766	Pa×s	362.15	Calculated Property
η	0.0009910	Pa×s	394.00	Calculated Property
η	0.0006032	Pa×s	425.84	Calculated Property
η	0.0003934	Pa×s	457.68	Calculated Property
η	0.0002713	Pa×s	489.52	Calculated Property
η	0.0001957	Pa×s	521.37	Calculated Property
η	0.0001466	Pa×s	553.21	Calculated Property
η	0.0001134	Pa×s	585.05	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-yl 3-hexyl 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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