Chemical Properties of Resorcinol, 2,4-dibenzoyl-6-hexyl-

InChI

InChI=1S/C26H26O4/c1-2-3-4-7-16-20-17-21(23(27)18-12-8-5-9-13-18)26(30)22(25(20)29)24(28)19-14-10-6-11-15-19/h5-6,8-15,17,29-30H,2-4,7,16H2,1H3

InChI Key

LGOMKSQEZOHEAQ-UHFFFAOYSA-N

Formula

C26H26O4

SMILES

CCCCCCc1cc(C(=O)c2ccccc2)c(O)c(C(=O)c2ccccc2)c1O

Molecular Weight¹

402.49

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[426.00; 1021.91]	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			-9.69850e+01
Coefficient B			2.37132e+00
Coefficient C			-1.82544e-03
Coefficient D			5.73020e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	426.00	J/mol×K	273.00	Calculated Property
Cp,gas	538.84	J/mol×K	353.78	Calculated Property
Cp,gas	635.79	J/mol×K	434.56	Calculated Property
Cp,gas	718.68	J/mol×K	515.33	Calculated Property
Cp,gas	789.30	J/mol×K	596.11	Calculated Property
Cp,gas	849.47	J/mol×K	676.89	Calculated Property
Cp,gas	901.01	J/mol×K	757.67	Calculated Property
Cp,gas	945.72	J/mol×K	838.44	Calculated Property
Cp,gas	985.42	J/mol×K	919.22	Calculated Property
Cp,gas	1021.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000006; 8.7617613e-08]	Pa×s	[810.38; 992.83]	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			-2.45843e+01
Coefficient B			8.27428e+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.			810.38
Temperature range, max.			992.83
η	0.0000006	Pa×s	810.38	Calculated Property
η	0.0000004	Pa×s	830.65	Calculated Property
η	0.0000004	Pa×s	850.92	Calculated Property
η	0.0000003	Pa×s	871.20	Calculated Property
η	0.0000002	Pa×s	891.47	Calculated Property
η	0.0000002	Pa×s	911.74	Calculated Property
η	0.0000002	Pa×s	932.01	Calculated Property
η	0.0000001	Pa×s	952.28	Calculated Property
η	0.0000001	Pa×s	972.56	Calculated Property
η	8.7617613e-08	Pa×s	992.83	Calculated Property

Similar Compounds

Find more compounds similar to Resorcinol, 2,4-dibenzoyl-6-hexyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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