Chemical Properties of 5-Tert-butyl-2',4'-dichloro-2-hydroxybenzophenone (CAS 61709-37-3)

InChI

InChI=1S/C17H16Cl2O2/c1-17(2,3)10-4-7-15(20)13(8-10)16(21)12-6-5-11(18)9-14(12)19/h4-9,20H,1-3H3

InChI Key

ZRPJXEAUDAUFOU-UHFFFAOYSA-N

Formula

C17H16Cl2O2

SMILES

CC(C)(C)c1ccc(O)c(C(=O)c2ccc(Cl)cc2Cl)c1

Molecular Weight¹

323.21

CAS

61709-37-3

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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_c : Critical 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 Volume, 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	[302.42; 679.65]	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			-3.77300e+01
Coefficient B			1.54856e+00
Coefficient C			-1.21254e-03
Coefficient D			3.81360e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	302.42	J/mol×K	273.00	Calculated Property
Cp,gas	375.24	J/mol×K	353.78	Calculated Property
Cp,gas	437.53	J/mol×K	434.56	Calculated Property
Cp,gas	490.47	J/mol×K	515.33	Calculated Property
Cp,gas	535.29	J/mol×K	596.11	Calculated Property
Cp,gas	573.19	J/mol×K	676.89	Calculated Property
Cp,gas	605.36	J/mol×K	757.67	Calculated Property
Cp,gas	633.03	J/mol×K	838.44	Calculated Property
Cp,gas	657.39	J/mol×K	919.22	Calculated Property
Cp,gas	679.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000656; 0.0000082]	Pa×s	[595.66; 784.15]	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			-1.83057e+01
Coefficient B			5.16637e+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.			595.66
Temperature range, max.			784.15
η	0.0000656	Pa×s	595.66	Calculated Property
η	0.0000488	Pa×s	616.60	Calculated Property
η	0.0000371	Pa×s	637.55	Calculated Property
η	0.0000287	Pa×s	658.49	Calculated Property
η	0.0000225	Pa×s	679.44	Calculated Property
η	0.0000179	Pa×s	700.38	Calculated Property
η	0.0000145	Pa×s	721.32	Calculated Property
η	0.0000118	Pa×s	742.27	Calculated Property
η	0.0000098	Pa×s	763.21	Calculated Property
η	0.0000082	Pa×s	784.15	Calculated Property

Similar Compounds

Find more compounds similar to 5-Tert-butyl-2',4'-dichloro-2-hydroxybenzophenone.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.