Chemical Properties of Succinic acid, cyclohexylmethyl 4-biphenyl ester

InChI

InChI=1S/C23H26O4/c24-22(26-17-18-7-3-1-4-8-18)15-16-23(25)27-21-13-11-20(12-14-21)19-9-5-2-6-10-19/h2,5-6,9-14,18H,1,3-4,7-8,15-17H2

InChI Key

GNVSUWJZFREDRA-UHFFFAOYSA-N

Formula

C23H26O4

SMILES

O=C(CCC(=O)Oc1ccc(-c2ccccc2)cc1)OCC1CCCCC1

Molecular Weight¹

366.46

• 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°	43.59	kJ/mol	Joback Calculated Property
logPoct/wat	5.163		Crippen Calculated Property
McVol	291.430	ml/mol	McGowan Calculated Property
Inp	[3177.00; 3177.00]
Inp	3177.00		NIST
Inp	3177.00		NIST
Tboil	726.59	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	[375.99; 967.12]	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			-8.63170e+01
Coefficient B			1.98400e+00
Coefficient C			-1.11456e-03
Coefficient D			1.84000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	375.99	J/mol×K	273.00	Calculated Property
Cp,gas	484.23	J/mol×K	353.78	Calculated Property
Cp,gas	580.47	J/mol×K	434.56	Calculated Property
Cp,gas	665.29	J/mol×K	515.33	Calculated Property
Cp,gas	739.29	J/mol×K	596.11	Calculated Property
Cp,gas	803.03	J/mol×K	676.89	Calculated Property
Cp,gas	857.10	J/mol×K	757.67	Calculated Property
Cp,gas	902.09	J/mol×K	838.44	Calculated Property
Cp,gas	938.57	J/mol×K	919.22	Calculated Property
Cp,gas	967.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005857; 0.0000472]	Pa×s	[506.37; 811.14]	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			-1.41481e+01
Coefficient B			3.39541e+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.			506.37
Temperature range, max.			811.14
η	0.0005857	Pa×s	506.37	Calculated Property
η	0.0003847	Pa×s	540.23	Calculated Property
η	0.0002655	Pa×s	574.10	Calculated Property
η	0.0001910	Pa×s	607.96	Calculated Property
η	0.0001423	Pa×s	641.82	Calculated Property
η	0.0001091	Pa×s	675.68	Calculated Property
η	0.0000859	Pa×s	709.55	Calculated Property
η	0.0000690	Pa×s	743.41	Calculated Property
η	0.0000566	Pa×s	777.27	Calculated Property
η	0.0000472	Pa×s	811.14	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, cyclohexylmethyl 4-biphenyl 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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