Chemical Properties of 1,1,2-Tritolylethane (CAS 27497-47-8)

InChI

InChI=1S/C23H24/c1-17-4-10-20(11-5-17)16-23(21-12-6-18(2)7-13-21)22-14-8-19(3)9-15-22/h4-15,23H,16H2,1-3H3

InChI Key

UELJFQQBQVFDMT-UHFFFAOYSA-N

Formula

C23H24

SMILES

Cc1ccc(CC(c2ccc(C)cc2)c2ccc(C)cc2)cc1

Molecular Weight¹

300.44

CAS

27497-47-8

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[328.97; 841.76]	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			-7.85190e+01
Coefficient B			1.77956e+00
Coefficient C			-1.12308e-03
Coefficient D			2.63800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	328.97	J/mol×K	273.00	Calculated Property
Cp,gas	422.17	J/mol×K	353.78	Calculated Property
Cp,gas	504.37	J/mol×K	434.56	Calculated Property
Cp,gas	576.40	J/mol×K	515.33	Calculated Property
Cp,gas	639.09	J/mol×K	596.11	Calculated Property
Cp,gas	693.29	J/mol×K	676.89	Calculated Property
Cp,gas	739.82	J/mol×K	757.67	Calculated Property
Cp,gas	779.52	J/mol×K	838.44	Calculated Property
Cp,gas	813.22	J/mol×K	919.22	Calculated Property
Cp,gas	841.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007773; 0.0000890]	Pa×s	[450.79; 747.65]	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			-1.26177e+01
Coefficient B			2.46042e+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.			450.79
Temperature range, max.			747.65
η	0.0007773	Pa×s	450.79	Calculated Property
η	0.0005357	Pa×s	483.77	Calculated Property
η	0.0003872	Pa×s	516.76	Calculated Property
η	0.0002910	Pa×s	549.74	Calculated Property
η	0.0002259	Pa×s	582.73	Calculated Property
η	0.0001802	Pa×s	615.71	Calculated Property
η	0.0001470	Pa×s	648.69	Calculated Property
η	0.0001224	Pa×s	681.68	Calculated Property
η	0.0001036	Pa×s	714.66	Calculated Property
η	0.0000890	Pa×s	747.65	Calculated Property

Similar Compounds

Find more compounds similar to 1,1,2-Tritolylethane.

Sources

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

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