Chemical Properties of Benzophenone, 5-heptyl-2,4-dihydroxy- (CAS 116495-91-1)

InChI

InChI=1S/C20H24O3/c1-2-3-4-5-7-12-16-13-17(19(22)14-18(16)21)20(23)15-10-8-6-9-11-15/h6,8-11,13-14,21-22H,2-5,7,12H2,1H3

InChI Key

LHYZXFSSNRZNFV-UHFFFAOYSA-N

Formula

C20H24O3

SMILES

CCCCCCCc1cc(C(=O)c2ccccc2)c(O)cc1O

Molecular Weight¹

312.40

CAS

116495-91-1

• ω : Acentric Factor.
• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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	[352.49; 844.92]	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			-7.92840e+01
Coefficient B			1.96772e+00
Coefficient C			-1.55358e-03
Coefficient D			5.10060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	352.49	J/mol×K	273.00	Calculated Property
Cp,gas	444.99	J/mol×K	353.78	Calculated Property
Cp,gas	524.28	J/mol×K	434.56	Calculated Property
Cp,gas	591.97	J/mol×K	515.33	Calculated Property
Cp,gas	649.68	J/mol×K	596.11	Calculated Property
Cp,gas	699.01	J/mol×K	676.89	Calculated Property
Cp,gas	741.59	J/mol×K	757.67	Calculated Property
Cp,gas	779.03	J/mol×K	838.44	Calculated Property
Cp,gas	812.93	J/mol×K	919.22	Calculated Property
Cp,gas	844.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000047; 0.0000005]	Pa×s	[653.89; 817.20]	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			-2.37027e+01
Coefficient B			7.48097e+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.			653.89
Temperature range, max.			817.20
η	0.0000047	Pa×s	653.89	Calculated Property
η	0.0000035	Pa×s	672.04	Calculated Property
η	0.0000026	Pa×s	690.18	Calculated Property
η	0.0000020	Pa×s	708.33	Calculated Property
η	0.0000015	Pa×s	726.47	Calculated Property
η	0.0000012	Pa×s	744.62	Calculated Property
η	0.0000009	Pa×s	762.76	Calculated Property
η	0.0000007	Pa×s	780.91	Calculated Property
η	0.0000006	Pa×s	799.06	Calculated Property
η	0.0000005	Pa×s	817.20	Calculated Property

Similar Compounds

Find more compounds similar to Benzophenone, 5-heptyl-2,4-dihydroxy-.

Sources

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

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