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

InChI

InChI=1S/C23H34O5/c1-5-21(16(2)3)28-23(25)15-14-22(24)27-20-12-8-18(9-13-20)17-6-10-19(26-4)11-7-17/h6-7,10-11,16,18,20-21H,5,8-9,12-15H2,1-4H3

InChI Key

ACBJWYYLOXMMJH-UHFFFAOYSA-N

Formula

C23H34O5

SMILES

CCC(OC(=O)CCC(=O)OC1CCC(c2ccc(OC)cc2)CC1)C(C)C

Molecular Weight¹

390.51

• 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°	44.76	kJ/mol	Joback Calculated Property
logPoct/wat	5.023		Crippen Calculated Property
McVol	321.060	ml/mol	McGowan Calculated Property
Inp	[2919.00; 2919.00]
Inp	2919.00		NIST
Inp	2919.00		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	[450.29; 1111.88]	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			-2.43370e+01
Coefficient B			1.98508e+00
Coefficient C			-9.23360e-04
Coefficient D			7.45000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	450.29	J/mol×K	273.00	Calculated Property
Cp,gas	565.67	J/mol×K	353.78	Calculated Property
Cp,gas	670.04	J/mol×K	434.56	Calculated Property
Cp,gas	763.62	J/mol×K	515.33	Calculated Property
Cp,gas	846.66	J/mol×K	596.11	Calculated Property
Cp,gas	919.38	J/mol×K	676.89	Calculated Property
Cp,gas	982.03	J/mol×K	757.67	Calculated Property
Cp,gas	1034.84	J/mol×K	838.44	Calculated Property
Cp,gas	1078.05	J/mol×K	919.22	Calculated Property
Cp,gas	1111.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007119; 0.0000399]	Pa×s	[467.94; 789.42]	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			-1.43255e+01
Coefficient B			3.31203e+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.			467.94
Temperature range, max.			789.42
η	0.0007119	Pa×s	467.94	Calculated Property
η	0.0004309	Pa×s	503.66	Calculated Property
η	0.0002788	Pa×s	539.38	Calculated Property
η	0.0001904	Pa×s	575.10	Calculated Property
η	0.0001359	Pa×s	610.82	Calculated Property
η	0.0001008	Pa×s	646.54	Calculated Property
η	0.0000771	Pa×s	682.26	Calculated Property
η	0.0000605	Pa×s	717.98	Calculated Property
η	0.0000486	Pa×s	753.70	Calculated Property
η	0.0000399	Pa×s	789.42	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-methylpent-3-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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