Chemical Properties of Benzophenone, 2,4,4'-trihydroxy-4'-laurate (CAS 116495-93-3)

InChI

InChI=1S/C25H32O5/c1-2-3-4-5-6-7-8-9-10-11-24(28)30-21-15-12-19(13-16-21)25(29)22-17-14-20(26)18-23(22)27/h12-18,26-27H,2-11H2,1H3

InChI Key

CJJFPDOHTAEZLM-UHFFFAOYSA-N

Formula

C25H32O5

SMILES

CCCCCCCCCCCC(=O)Oc1ccc(C(=O)c2ccc(O)cc2O)cc1

Molecular Weight¹

412.52

CAS

116495-93-3

• 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).
• 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 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 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	[474.90; 1110.98]	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			-5.84200e+01
Coefficient B			2.38792e+00
Coefficient C			-1.73098e-03
Coefficient D			5.12460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	474.90	J/mol×K	273.00	Calculated Property
Cp,gas	592.42	J/mol×K	353.78	Calculated Property
Cp,gas	694.44	J/mol×K	434.56	Calculated Property
Cp,gas	782.59	J/mol×K	515.33	Calculated Property
Cp,gas	858.50	J/mol×K	596.11	Calculated Property
Cp,gas	923.77	J/mol×K	676.89	Calculated Property
Cp,gas	980.04	J/mol×K	757.67	Calculated Property
Cp,gas	1028.91	J/mol×K	838.44	Calculated Property
Cp,gas	1072.02	J/mol×K	919.22	Calculated Property
Cp,gas	1110.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000008; 7.7943223e-08]	Pa×s	[752.57; 945.81]	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			-2.51867e+01
Coefficient B			8.34149e+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.			752.57
Temperature range, max.			945.81
η	0.0000008	Pa×s	752.57	Calculated Property
η	0.0000006	Pa×s	774.04	Calculated Property
η	0.0000004	Pa×s	795.51	Calculated Property
η	0.0000003	Pa×s	816.98	Calculated Property
η	0.0000002	Pa×s	838.45	Calculated Property
η	0.0000002	Pa×s	859.93	Calculated Property
η	0.0000001	Pa×s	881.40	Calculated Property
η	0.0000001	Pa×s	902.87	Calculated Property
η	9.5664120e-08	Pa×s	924.34	Calculated Property
η	7.7943223e-08	Pa×s	945.81	Calculated Property

Similar Compounds

Find more compounds similar to Benzophenone, 2,4,4'-trihydroxy-4'-laurate.

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

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.