Chemical Properties of Hexamethylbenzene, deuterated

InChI

InChI=1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3/i1D3,2D3,3D3,4D3,5D3,6D3

InChI Key

YUWFEBAXEOLKSG-NBDUPMGQSA-N

Formula

C12D18

SMILES

[2H]C([2H])([2H])c1c(C([2H])([2H])[2H])c(C([2H])([2H])[2H])c(C([2H])([2H])[2H])c(C([2H])([2H])[2H])c1C([2H])([2H])[2H]

Molecular Weight¹

180.39

Other Names

• hexamethylbenzene-d18

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[215.54; 504.69]	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			2.95700e+01
Coefficient B			7.67520e-01
Coefficient C			-3.25000e-04
Coefficient D			3.26000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	215.54	J/mol×K	273.00	Calculated Property
Cp,gas	261.87	J/mol×K	353.78	Calculated Property
Cp,gas	304.40	J/mol×K	434.56	Calculated Property
Cp,gas	343.25	J/mol×K	515.33	Calculated Property
Cp,gas	378.51	J/mol×K	596.11	Calculated Property
Cp,gas	410.30	J/mol×K	676.89	Calculated Property
Cp,gas	438.70	J/mol×K	757.67	Calculated Property
Cp,gas	463.84	J/mol×K	838.44	Calculated Property
Cp,gas	485.80	J/mol×K	919.22	Calculated Property
Cp,gas	504.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009379; 0.0002099]	Pa×s	[314.02; 511.56]	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			-1.08489e+01
Coefficient B			1.21748e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			314.02
Temperature range, max.			511.56
η	0.0009379	Pa×s	314.02	Calculated Property
η	0.0007281	Pa×s	335.97	Calculated Property
η	0.0005830	Pa×s	357.92	Calculated Property
η	0.0004790	Pa×s	379.87	Calculated Property
η	0.0004020	Pa×s	401.82	Calculated Property
η	0.0003436	Pa×s	423.77	Calculated Property
η	0.0002983	Pa×s	445.72	Calculated Property
η	0.0002624	Pa×s	467.66	Calculated Property
η	0.0002335	Pa×s	489.61	Calculated Property
η	0.0002099	Pa×s	511.56	Calculated Property

Similar Compounds

Find more compounds similar to Hexamethylbenzene, deuterated.

Sources

• 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
• Enthalpies of Vaporization and Vapor Pressures of Some Deuterated Hydrocarbons. Liquid-Vapor Pressure Isotope Effects
• Joback Method
• McGowan Method
• NIST Webbook

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