Chemical Properties of Benzene, 2-(1-decylundecyl)-1,4-dimethyl-

InChI

InChI=1S/C29H52/c1-5-7-9-11-13-15-17-19-21-28(29-25-26(3)23-24-27(29)4)22-20-18-16-14-12-10-8-6-2/h23-25,28H,5-22H2,1-4H3

InChI Key

XDZKZNNMWLIULQ-UHFFFAOYSA-N

Formula

C29H52

SMILES

CCCCCCCCCCC(CCCCCCCCCC)c1cc(C)ccc1C

Molecular Weight¹

400.73

Other Names

• 11-(2,5-Dimethylphenyl)heneicosane
• 11-(2,5-Xylyl)heneicosane
• Henicosane, 11-(2,5-dimethylphenyl)-

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[568.21; 1391.40]	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			-3.04620e+01
Coefficient B			2.56688e+00
Coefficient C			-1.45412e-03
Coefficient D			3.09100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	568.21	J/mol×K	273.00	Calculated Property
Cp,gas	709.33	J/mol×K	353.78	Calculated Property
Cp,gas	835.76	J/mol×K	434.56	Calculated Property
Cp,gas	948.47	J/mol×K	515.33	Calculated Property
Cp,gas	1048.44	J/mol×K	596.11	Calculated Property
Cp,gas	1136.65	J/mol×K	676.89	Calculated Property
Cp,gas	1214.07	J/mol×K	757.67	Calculated Property
Cp,gas	1281.68	J/mol×K	838.44	Calculated Property
Cp,gas	1340.47	J/mol×K	919.22	Calculated Property
Cp,gas	1391.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007419; 0.0000480]	Pa×s	[453.05; 770.72]	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			-1.38497e+01
Coefficient B			3.00980e+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.			453.05
Temperature range, max.			770.72
η	0.0007419	Pa×s	453.05	Calculated Property
η	0.0004590	Pa×s	488.35	Calculated Property
η	0.0003030	Pa×s	523.64	Calculated Property
η	0.0002107	Pa×s	558.94	Calculated Property
η	0.0001531	Pa×s	594.24	Calculated Property
η	0.0001152	Pa×s	629.53	Calculated Property
η	0.0000894	Pa×s	664.83	Calculated Property
η	0.0000711	Pa×s	700.12	Calculated Property
η	0.0000579	Pa×s	735.42	Calculated Property
η	0.0000480	Pa×s	770.72	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 2-(1-decylundecyl)-1,4-dimethyl-.

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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