Chemical Properties of Benzene, 1,3,5-tris(1-methylpropyl)-

InChI

InChI=1S/C18H30/c1-7-13(4)16-10-17(14(5)8-2)12-18(11-16)15(6)9-3/h10-15H,7-9H2,1-6H3

InChI Key

LNCLJYZMKXSECB-UHFFFAOYSA-N

Formula

C18H30

SMILES

CCC(C)c1cc(C(C)CC)cc(C(C)CC)c1

Molecular Weight¹

246.44

Other Names

• Benzene, 1,3,5-tri-sec-butyl-
• 1,3,5-Tri-sec-butylbenzene
• 1,3,5-Tri-s-butylbenzene

• ω : Acentric Factor.
• 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).
• 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, 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	[334.23; 824.97]	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			-2.38270e+01
Coefficient B			1.53372e+00
Coefficient C			-8.62120e-04
Coefficient D			1.77200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	334.23	J/mol×K	273.00	Calculated Property
Cp,gas	418.71	J/mol×K	353.78	Calculated Property
Cp,gas	494.40	J/mol×K	434.56	Calculated Property
Cp,gas	561.85	J/mol×K	515.33	Calculated Property
Cp,gas	621.62	J/mol×K	596.11	Calculated Property
Cp,gas	674.28	J/mol×K	676.89	Calculated Property
Cp,gas	720.39	J/mol×K	757.67	Calculated Property
Cp,gas	760.50	J/mol×K	838.44	Calculated Property
Cp,gas	795.17	J/mol×K	919.22	Calculated Property
Cp,gas	824.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038426; 0.0001304]	Pa×s	[299.08; 590.72]	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			-1.24149e+01
Coefficient B			2.04968e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			299.08
Temperature range, max.			590.72
η	0.0038426	Pa×s	299.08	Calculated Property
η	0.0019664	Pa×s	331.48	Calculated Property
η	0.0011338	Pa×s	363.89	Calculated Property
η	0.0007153	Pa×s	396.29	Calculated Property
η	0.0004839	Pa×s	428.70	Calculated Property
η	0.0003458	Pa×s	461.10	Calculated Property
η	0.0002582	Pa×s	493.51	Calculated Property
η	0.0001999	Pa×s	525.91	Calculated Property
η	0.0001595	Pa×s	558.32	Calculated Property
η	0.0001304	Pa×s	590.72	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,3,5-tris(1-methylpropyl)-.

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.
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