Chemical Properties of 1,2,4-Trimethyl-3-(chloromethyl)benzene

InChI

InChI=1S/C10H13Cl/c1-7-4-5-8(2)10(6-11)9(7)3/h4-5H,6H2,1-3H3

InChI Key

HGFIBEDXILACRG-UHFFFAOYSA-N

Formula

C10H13Cl

SMILES

Cc1ccc(C)c(CCl)c1C

Molecular Weight¹

168.67

• 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).
• I_np : Non-polar retention indices.
• 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[181.42; 415.86]	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			1.56810e+01
Coefficient B			7.03260e-01
Coefficient C			-3.70680e-04
Coefficient D			6.76000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	181.42	J/mol×K	273.00	Calculated Property
Cp,gas	221.08	J/mol×K	353.78	Calculated Property
Cp,gas	256.84	J/mol×K	434.56	Calculated Property
Cp,gas	288.90	J/mol×K	515.33	Calculated Property
Cp,gas	317.50	J/mol×K	596.11	Calculated Property
Cp,gas	342.84	J/mol×K	676.89	Calculated Property
Cp,gas	365.13	J/mol×K	757.67	Calculated Property
Cp,gas	384.59	J/mol×K	838.44	Calculated Property
Cp,gas	401.43	J/mol×K	919.22	Calculated Property
Cp,gas	415.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013558; 0.0002202]	Pa×s	[296.36; 505.21]	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			-1.10001e+01
Coefficient B			1.30300e+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.			296.36
Temperature range, max.			505.21
η	0.0013558	Pa×s	296.36	Calculated Property
η	0.0009852	Pa×s	319.57	Calculated Property
η	0.0007476	Pa×s	342.77	Calculated Property
η	0.0005874	Pa×s	365.98	Calculated Property
η	0.0004751	Pa×s	389.18	Calculated Property
η	0.0003935	Pa×s	412.39	Calculated Property
η	0.0003325	Pa×s	435.59	Calculated Property
η	0.0002858	Pa×s	458.80	Calculated Property
η	0.0002493	Pa×s	482.01	Calculated Property
η	0.0002202	Pa×s	505.21	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,4-Trimethyl-3-(chloromethyl)benzene.

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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