Chemical Properties of 1,2,5-trichloro-3-methylbenzene (CAS 56961-86-5)

InChI

InChI=1S/C7H5Cl3/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,1H3

InChI Key

OKLGPXYADUOPGA-UHFFFAOYSA-N

Formula

C7H5Cl3

SMILES

Cc1cc(Cl)cc(Cl)c1Cl

Molecular Weight¹

195.48

CAS

56961-86-5

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• 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 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	[144.59; 277.63]	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			4.41900e+01
Coefficient B			4.31820e-01
Coefficient C			-2.48280e-04
Coefficient D			4.99000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	144.59	J/mol×K	273.00	Calculated Property
Cp,gas	168.09	J/mol×K	353.78	Calculated Property
Cp,gas	189.05	J/mol×K	434.56	Calculated Property
Cp,gas	207.62	J/mol×K	515.33	Calculated Property
Cp,gas	223.95	J/mol×K	596.11	Calculated Property
Cp,gas	238.20	J/mol×K	676.89	Calculated Property
Cp,gas	250.54	J/mol×K	757.67	Calculated Property
Cp,gas	261.12	J/mol×K	838.44	Calculated Property
Cp,gas	270.10	J/mol×K	919.22	Calculated Property
Cp,gas	277.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013398; 0.0002620]	Pa×s	[322.39; 525.06]	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			-1.08436e+01
Coefficient B			1.36316e+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.			322.39
Temperature range, max.			525.06
η	0.0013398	Pa×s	322.39	Calculated Property
η	0.0010166	Pa×s	344.91	Calculated Property
η	0.0007979	Pa×s	367.43	Calculated Property
η	0.0006440	Pa×s	389.95	Calculated Property
η	0.0005321	Pa×s	412.46	Calculated Property
η	0.0004484	Pa×s	434.98	Calculated Property
η	0.0003843	Pa×s	457.50	Calculated Property
η	0.0003342	Pa×s	480.02	Calculated Property
η	0.0002943	Pa×s	502.54	Calculated Property
η	0.0002620	Pa×s	525.06	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[367.52; 538.30]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.37396e+01
Coefficient B			-3.85391e+03
Coefficient C			-8.10260e+01
Temperature range, min.			367.52
Temperature range, max.			538.30
Pvap	1.33	kPa	367.52	Calculated Property
Pvap	3.07	kPa	386.50	Calculated Property
Pvap	6.43	kPa	405.47	Calculated Property
Pvap	12.40	kPa	424.45	Calculated Property
Pvap	22.31	kPa	443.42	Calculated Property
Pvap	37.87	kPa	462.40	Calculated Property
Pvap	61.14	kPa	481.37	Calculated Property
Pvap	94.52	kPa	500.35	Calculated Property
Pvap	140.71	kPa	519.32	Calculated Property
Pvap	202.66	kPa	538.30	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,5-trichloro-3-methylbenzene.

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
• The Yaws Handbook of Vapor Pressure

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