Chemical Properties of Mesityl-acetomesitylene

InChI

InChI=1S/C20H24O/c1-12-7-14(3)18(15(4)8-12)11-19(21)20-16(5)9-13(2)10-17(20)6/h7-10H,11H2,1-6H3

InChI Key

VEQCXWMGUSPDQV-UHFFFAOYSA-N

Formula

C20H24O

SMILES

Cc1cc(C)c(CC(=O)c2c(C)cc(C)cc2C)c(C)c1

Molecular Weight¹

280.41

• 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).
• IE : Ionization energy (eV).
• 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, 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	[331.47; 784.87]	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			1.00510e+01
Coefficient B			1.36112e+00
Coefficient C			-7.05660e-04
Coefficient D			1.19360e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	331.47	J/mol×K	273.00	Calculated Property
Cp,gas	408.55	J/mol×K	353.78	Calculated Property
Cp,gas	478.07	J/mol×K	434.56	Calculated Property
Cp,gas	540.42	J/mol×K	515.33	Calculated Property
Cp,gas	595.96	J/mol×K	596.11	Calculated Property
Cp,gas	645.08	J/mol×K	676.89	Calculated Property
Cp,gas	688.15	J/mol×K	757.67	Calculated Property
Cp,gas	725.56	J/mol×K	838.44	Calculated Property
Cp,gas	757.67	J/mol×K	919.22	Calculated Property
Cp,gas	784.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005640; 0.0001421]	Pa×s	[493.05; 713.53]	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			-1.19407e+01
Coefficient B			2.19911e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			493.05
Temperature range, max.			713.53
η	0.0005640	Pa×s	493.05	Calculated Property
η	0.0004566	Pa×s	517.55	Calculated Property
η	0.0003768	Pa×s	542.05	Calculated Property
η	0.0003162	Pa×s	566.54	Calculated Property
η	0.0002692	Pa×s	591.04	Calculated Property
η	0.0002322	Pa×s	615.54	Calculated Property
η	0.0002025	Pa×s	640.04	Calculated Property
η	0.0001784	Pa×s	664.53	Calculated Property
η	0.0001586	Pa×s	689.03	Calculated Property
η	0.0001421	Pa×s	713.53	Calculated Property

Similar Compounds

Find more compounds similar to Mesityl-acetomesitylene.

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.
These property values are available through the Cheméo API. A free account gives you an access key.