Chemical Properties of Succinic acid, 3-methylbut-2-yl 4-(4-methoxyphenyl)cyclohexyl ester

InChI

InChI=1S/C22H32O5/c1-15(2)16(3)26-21(23)13-14-22(24)27-20-11-7-18(8-12-20)17-5-9-19(25-4)10-6-17/h5-6,9-10,15-16,18,20H,7-8,11-14H2,1-4H3

InChI Key

MNPPIGNFBUPNMZ-UHFFFAOYSA-N

Formula

C22H32O5

SMILES

COc1ccc(C2CCC(OC(=O)CCC(=O)OC(C)C(C)C)CC2)cc1

Molecular Weight¹

376.49

• 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°	42.17	kJ/mol	Joback Calculated Property
logPoct/wat	4.632		Crippen Calculated Property
McVol	306.970	ml/mol	McGowan Calculated Property
Inp	[2840.00; 2840.00]
Inp	2840.00		NIST
Inp	2840.00		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	[429.07; 1060.29]	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			-2.34280e+01
Coefficient B			1.89008e+00
Coefficient C			-8.68960e-04
Coefficient D			6.26000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	429.07	J/mol×K	273.00	Calculated Property
Cp,gas	539.25	J/mol×K	353.78	Calculated Property
Cp,gas	638.96	J/mol×K	434.56	Calculated Property
Cp,gas	728.39	J/mol×K	515.33	Calculated Property
Cp,gas	807.75	J/mol×K	596.11	Calculated Property
Cp,gas	877.22	J/mol×K	676.89	Calculated Property
Cp,gas	937.02	J/mol×K	757.67	Calculated Property
Cp,gas	987.33	J/mol×K	838.44	Calculated Property
Cp,gas	1028.35	J/mol×K	919.22	Calculated Property
Cp,gas	1060.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008114; 0.0000453]	Pa×s	[456.67; 773.46]	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			-1.41631e+01
Coefficient B			3.21787e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			456.67
Temperature range, max.			773.46
η	0.0008114	Pa×s	456.67	Calculated Property
η	0.0004901	Pa×s	491.87	Calculated Property
η	0.0003166	Pa×s	527.07	Calculated Property
η	0.0002160	Pa×s	562.27	Calculated Property
η	0.0001542	Pa×s	597.47	Calculated Property
η	0.0001143	Pa×s	632.67	Calculated Property
η	0.0000874	Pa×s	667.87	Calculated Property
η	0.0000687	Pa×s	703.06	Calculated Property
η	0.0000552	Pa×s	738.26	Calculated Property
η	0.0000453	Pa×s	773.46	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-yl 4-(4-methoxyphenyl)cyclohexyl 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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