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

InChI

InChI=1S/C16H28O4/c1-12(2)13(3)20-16(18)10-9-15(17)19-11-14-7-5-4-6-8-14/h12-14H,4-11H2,1-3H3

InChI Key

ZMDWVPSLRPMXPS-UHFFFAOYSA-N

Formula

C16H28O4

SMILES

CC(C)C(C)OC(=O)CCC(=O)OCC1CCCCC1

Molecular Weight¹

284.39

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	30.72	kJ/mol	Joback Calculated Property
logPoct/wat	3.478		Crippen Calculated Property
McVol	240.320	ml/mol	McGowan Calculated Property
Inp	[1944.00; 1944.00]
Inp	1944.00		NIST
Inp	1944.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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	[338.83; 847.15]	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			-2.98070e+01
Coefficient B			1.54816e+00
Coefficient C			-7.44800e-04
Coefficient D			7.36000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	338.83	J/mol×K	273.00	Calculated Property
Cp,gas	427.94	J/mol×K	353.78	Calculated Property
Cp,gas	508.35	J/mol×K	434.56	Calculated Property
Cp,gas	580.29	J/mol×K	515.33	Calculated Property
Cp,gas	644.00	J/mol×K	596.11	Calculated Property
Cp,gas	699.70	J/mol×K	676.89	Calculated Property
Cp,gas	747.64	J/mol×K	757.67	Calculated Property
Cp,gas	788.03	J/mol×K	838.44	Calculated Property
Cp,gas	821.13	J/mol×K	919.22	Calculated Property
Cp,gas	847.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0056115; 0.0001054]	Pa×s	[332.12; 629.05]	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			-1.36026e+01
Coefficient B			2.79635e+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.			332.12
Temperature range, max.			629.05
η	0.0056115	Pa×s	332.12	Calculated Property
η	0.0026221	Pa×s	365.11	Calculated Property
η	0.0013900	Pa×s	398.11	Calculated Property
η	0.0008120	Pa×s	431.10	Calculated Property
η	0.0005120	Pa×s	464.09	Calculated Property
η	0.0003432	Pa×s	497.08	Calculated Property
η	0.0002418	Pa×s	530.08	Calculated Property
η	0.0001775	Pa×s	563.07	Calculated Property
η	0.0001349	Pa×s	596.06	Calculated Property
η	0.0001054	Pa×s	629.05	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, cyclohexylmethyl 3-methylbut-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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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