Chemical Properties of 1,3-di-isobutylmesitylene

InChI

InChI=1S/C17H28/c1-11(2)8-16-13(5)10-14(6)17(15(16)7)9-12(3)4/h10-12H,8-9H2,1-7H3

InChI Key

JOQYFRRUSWTDQJ-UHFFFAOYSA-N

Formula

C17H28

SMILES

Cc1cc(C)c(CC(C)C)c(C)c1CC(C)C

Molecular Weight¹

232.40

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	25.22	kJ/mol	Joback Calculated Property
logPoct/wat	5.009		Crippen Calculated Property
McVol	226.630	ml/mol	McGowan Calculated Property
Inp	[1640.00; 1640.00]
Inp	1640.00		NIST
Inp	1640.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, 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	[318.43; 766.76]	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			7.36200e+00
Coefficient B			1.31384e+00
Coefficient C			-6.70440e-04
Coefficient D			1.16000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	318.43	J/mol×K	273.00	Calculated Property
Cp,gas	393.39	J/mol×K	353.78	Calculated Property
Cp,gas	461.21	J/mol×K	434.56	Calculated Property
Cp,gas	522.26	J/mol×K	515.33	Calculated Property
Cp,gas	576.89	J/mol×K	596.11	Calculated Property
Cp,gas	625.48	J/mol×K	676.89	Calculated Property
Cp,gas	668.40	J/mol×K	757.67	Calculated Property
Cp,gas	706.00	J/mol×K	838.44	Calculated Property
Cp,gas	738.67	J/mol×K	919.22	Calculated Property
Cp,gas	766.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016354; 0.0001454]	Pa×s	[327.85; 582.45]	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			-1.19525e+01
Coefficient B			1.81518e+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.			327.85
Temperature range, max.			582.45
η	0.0016354	Pa×s	327.85	Calculated Property
η	0.0010535	Pa×s	356.14	Calculated Property
η	0.0007240	Pa×s	384.43	Calculated Property
η	0.0005238	Pa×s	412.72	Calculated Property
η	0.0003950	Pa×s	441.01	Calculated Property
η	0.0003082	Pa×s	469.30	Calculated Property
η	0.0002474	Pa×s	497.59	Calculated Property
η	0.0002033	Pa×s	525.88	Calculated Property
η	0.0001705	Pa×s	554.17	Calculated Property
η	0.0001454	Pa×s	582.45	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-di-isobutylmesitylene.

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

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