Chemical Properties of Succinic acid, 3-methylbut-2-yl cis-4-methylcyclohexyl ester

InChI

InChI=1S/C16H28O4/c1-11(2)13(4)19-15(17)9-10-16(18)20-14-7-5-12(3)6-8-14/h11-14H,5-10H2,1-4H3

InChI Key

RKNUYQRUDDMPPG-UHFFFAOYSA-N

Formula

C16H28O4

SMILES

CC1CCC(OC(=O)CCC(=O)OC(C)C(C)C)CC1

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

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-978.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.79	kJ/mol	Joback Calculated Property
ΔvapH°	83.05	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.476		Crippen Calculated Property
McVol	240.320	ml/mol	McGowan Calculated Property
Inp	[1886.00; 1886.00]
Inp	1886.00		NIST
Inp	1886.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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	[341.09; 853.81]	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			-2.38680e+01
Coefficient B			1.52168e+00
Coefficient C			-6.89400e-04
Coefficient D			4.54000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	341.09	J/mol×K	273.00	Calculated Property
Cp,gas	430.19	J/mol×K	353.78	Calculated Property
Cp,gas	510.93	J/mol×K	434.56	Calculated Property
Cp,gas	583.43	J/mol×K	515.33	Calculated Property
Cp,gas	647.86	J/mol×K	596.11	Calculated Property
Cp,gas	704.35	J/mol×K	676.89	Calculated Property
Cp,gas	753.05	J/mol×K	757.67	Calculated Property
Cp,gas	794.10	J/mol×K	838.44	Calculated Property
Cp,gas	827.63	J/mol×K	919.22	Calculated Property
Cp,gas	853.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0049892; 0.0001234]	Pa×s	[327.88; 625.67]	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			-1.30736e+01
Coefficient B			2.54866e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			327.88
Temperature range, max.			625.67
η	0.0049892	Pa×s	327.88	Calculated Property
η	0.0024467	Pa×s	360.97	Calculated Property
η	0.0013524	Pa×s	394.06	Calculated Property
η	0.0008195	Pa×s	427.14	Calculated Property
η	0.0005336	Pa×s	460.23	Calculated Property
η	0.0003681	Pa×s	493.32	Calculated Property
η	0.0002660	Pa×s	526.41	Calculated Property
η	0.0001998	Pa×s	559.49	Calculated Property
η	0.0001549	Pa×s	592.58	Calculated Property
η	0.0001234	Pa×s	625.67	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-yl cis-4-methylcyclohexyl 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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