Chemical Properties of Succinic acid, 2-biphenyl 4-isopropylphenyl ester

InChI

InChI=1S/C25H24O4/c1-18(2)19-12-14-21(15-13-19)28-24(26)16-17-25(27)29-23-11-7-6-10-22(23)20-8-4-3-5-9-20/h3-15,18H,16-17H2,1-2H3

InChI Key

HJIPHGJEEOEUCV-UHFFFAOYSA-N

Formula

C25H24O4

SMILES

CC(C)c1ccc(OC(=O)CCC(=O)Oc2ccccc2-c2ccccc2)cc1

Molecular Weight¹

388.46

• 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).
• IE : Ionization energy (eV).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	47.07	kJ/mol	Joback Calculated Property
IE	8.05	eV	Relay (1.0) Calculated Property
logPoct/wat	5.768		Crippen Calculated Property
McVol	306.710	ml/mol	McGowan Calculated Property
Inp	[3074.00; 3074.00]
Inp	3074.00		NIST
Inp	3074.00		NIST
Tboil	710.72	K	Relay (1.0) Calculated Property
Tfus	359.27	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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	[401.52; 964.20]	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			-4.38180e+01
Coefficient B			1.91944e+00
Coefficient C			-1.10972e-03
Coefficient D			1.98300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	401.52	J/mol×K	273.00	Calculated Property
Cp,gas	505.13	J/mol×K	353.78	Calculated Property
Cp,gas	597.00	J/mol×K	434.56	Calculated Property
Cp,gas	677.77	J/mol×K	515.33	Calculated Property
Cp,gas	748.05	J/mol×K	596.11	Calculated Property
Cp,gas	808.48	J/mol×K	676.89	Calculated Property
Cp,gas	859.68	J/mol×K	757.67	Calculated Property
Cp,gas	902.29	J/mol×K	838.44	Calculated Property
Cp,gas	936.92	J/mol×K	919.22	Calculated Property
Cp,gas	964.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003328; 0.0000332]	Pa×s	[545.47; 854.35]	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			-1.43868e+01
Coefficient B			3.47944e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			545.47
Temperature range, max.			854.35
η	0.0003328	Pa×s	545.47	Calculated Property
η	0.0002281	Pa×s	579.79	Calculated Property
η	0.0001631	Pa×s	614.11	Calculated Property
η	0.0001209	Pa×s	648.43	Calculated Property
η	0.0000923	Pa×s	682.75	Calculated Property
η	0.0000723	Pa×s	717.07	Calculated Property
η	0.0000579	Pa×s	751.39	Calculated Property
η	0.0000473	Pa×s	785.71	Calculated Property
η	0.0000393	Pa×s	820.03	Calculated Property
η	0.0000332	Pa×s	854.35	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-biphenyl 4-isopropylphenyl 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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