Chemical Properties of 1,3-Diisopropyl-5-n-Propylbenzene

InChI

InChI=1S/C13H20/c1-5-6-12-7-11(4)8-13(9-12)10(2)3/h7-10H,5-6H2,1-4H3

InChI Key

HPMXLFXGBONERG-UHFFFAOYSA-N

Formula

C13H20

SMILES

CCCc1cc(C)cc(C(C)C)c1

Molecular Weight¹

176.30

• 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).
• I_p : Polar retention indices.
• 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	[228.79; 565.94]	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			-1.59180e+01
Coefficient B			1.04688e+00
Coefficient C			-5.83720e-04
Coefficient D			1.18700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	228.79	J/mol×K	273.00	Calculated Property
Cp,gas	286.64	J/mol×K	353.78	Calculated Property
Cp,gas	338.52	J/mol×K	434.56	Calculated Property
Cp,gas	384.80	J/mol×K	515.33	Calculated Property
Cp,gas	425.86	J/mol×K	596.11	Calculated Property
Cp,gas	462.07	J/mol×K	676.89	Calculated Property
Cp,gas	493.81	J/mol×K	757.67	Calculated Property
Cp,gas	521.45	J/mol×K	838.44	Calculated Property
Cp,gas	545.37	J/mol×K	919.22	Calculated Property
Cp,gas	565.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025416; 0.0001896]	Pa×s	[272.73; 515.46]	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			-1.14868e+01
Coefficient B			1.50324e+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.			272.73
Temperature range, max.			515.46
η	0.0025416	Pa×s	272.73	Calculated Property
η	0.0015477	Pa×s	299.70	Calculated Property
η	0.0010229	Pa×s	326.67	Calculated Property
η	0.0007202	Pa×s	353.64	Calculated Property
η	0.0005329	Pa×s	380.61	Calculated Property
η	0.0004103	Pa×s	407.58	Calculated Property
η	0.0003264	Pa×s	434.55	Calculated Property
η	0.0002666	Pa×s	461.52	Calculated Property
η	0.0002227	Pa×s	488.49	Calculated Property
η	0.0001896	Pa×s	515.46	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Diisopropyl-5-n-Propylbenzene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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