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

InChI

InChI=1S/C24H36O5/c1-4-5-6-7-18(2)28-23(25)16-17-24(26)29-22-14-10-20(11-15-22)19-8-12-21(27-3)13-9-19/h8-9,12-13,18,20,22H,4-7,10-11,14-17H2,1-3H3

InChI Key

WYIZBKRKMFEYMG-UHFFFAOYSA-N

Formula

C24H36O5

SMILES

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

Molecular Weight¹

404.55

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	50.88	kJ/mol	Joback Calculated Property
logPoct/wat	5.557		Crippen Calculated Property
McVol	335.150	ml/mol	McGowan Calculated Property
Inp	[3031.00; 3031.00]
Inp	3031.00		NIST
Inp	3031.00		NIST
Tboil	694.08	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[471.82; 1162.94]	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			-2.35640e+01
Coefficient B			2.07416e+00
Coefficient C			-9.74560e-04
Coefficient D			8.69000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	471.82	J/mol×K	273.00	Calculated Property
Cp,gas	592.10	J/mol×K	353.78	Calculated Property
Cp,gas	700.87	J/mol×K	434.56	Calculated Property
Cp,gas	798.40	J/mol×K	515.33	Calculated Property
Cp,gas	884.97	J/mol×K	596.11	Calculated Property
Cp,gas	960.84	J/mol×K	676.89	Calculated Property
Cp,gas	1026.30	J/mol×K	757.67	Calculated Property
Cp,gas	1081.62	J/mol×K	838.44	Calculated Property
Cp,gas	1127.07	J/mol×K	919.22	Calculated Property
Cp,gas	1162.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005316; 0.0000382]	Pa×s	[494.21; 805.21]	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			-1.43552e+01
Coefficient B			3.36837e+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.			494.21
Temperature range, max.			805.21
η	0.0005316	Pa×s	494.21	Calculated Property
η	0.0003405	Pa×s	528.77	Calculated Property
η	0.0002304	Pa×s	563.32	Calculated Property
η	0.0001631	Pa×s	597.88	Calculated Property
η	0.0001199	Pa×s	632.43	Calculated Property
η	0.0000910	Pa×s	666.99	Calculated Property
η	0.0000709	Pa×s	701.55	Calculated Property
η	0.0000566	Pa×s	736.10	Calculated Property
η	0.0000461	Pa×s	770.66	Calculated Property
η	0.0000382	Pa×s	805.21	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, hept-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

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