Chemical Properties of [2H7]-2,3,5-Trichloro-1,4-dimethylbenzene

InChI

InChI=1S/C8H7Cl3/c1-4-3-6(9)5(2)8(11)7(4)10/h3H,1-2H3/i1D3,2D3,3D

InChI Key

VMMUHZZNIYRBPI-YYWVXINBSA-N

Formula

C8D7Cl3

SMILES

Cc1cc(Cl)c(C)c(Cl)c1Cl

Molecular Weight¹

216.54

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• 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

Property	Value	Unit	Source
ΔfusH°	21.55	kJ/mol	Joback Calculated Property
IE	8.64	eV	Relay (1.0) Calculated Property
log10WS	-5.44		Relay (1.0) Calculated Property
logPoct/wat	4.264		Crippen Calculated Property
McVol	136.540	ml/mol	McGowan Calculated Property
Inp	[1390.00; 1416.00]
Inp	1416.00		NIST
Inp	1390.00		NIST
Inp	1416.00		NIST
Tboil	532.11	K	Relay (1.0) Calculated Property
Tfus	346.16	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[168.35; 326.18]	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			5.75800e+01
Coefficient B			4.67340e-01
Coefficient C			-2.35640e-04
Coefficient D			3.69000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	168.35	J/mol×K	273.00	Calculated Property
Cp,gas	195.06	J/mol×K	353.78	Calculated Property
Cp,gas	219.20	J/mol×K	434.56	Calculated Property
Cp,gas	240.89	J/mol×K	515.33	Calculated Property
Cp,gas	260.25	J/mol×K	596.11	Calculated Property
Cp,gas	277.40	J/mol×K	676.89	Calculated Property
Cp,gas	292.45	J/mol×K	757.67	Calculated Property
Cp,gas	305.52	J/mol×K	838.44	Calculated Property
Cp,gas	316.72	J/mol×K	919.22	Calculated Property
Cp,gas	326.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010943; 0.0002520]	Pa×s	[346.18; 542.24]	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			-1.08793e+01
Coefficient B			1.40606e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			346.18
Temperature range, max.			542.24
η	0.0010943	Pa×s	346.18	Calculated Property
η	0.0008604	Pa×s	367.96	Calculated Property
η	0.0006950	Pa×s	389.75	Calculated Property
η	0.0005742	Pa×s	411.53	Calculated Property
η	0.0004835	Pa×s	433.32	Calculated Property
η	0.0004140	Pa×s	455.10	Calculated Property
η	0.0003595	Pa×s	476.88	Calculated Property
η	0.0003160	Pa×s	498.67	Calculated Property
η	0.0002809	Pa×s	520.45	Calculated Property
η	0.0002520	Pa×s	542.24	Calculated Property

Similar Compounds

Find more compounds similar to [2H7]-2,3,5-Trichloro-1,4-dimethylbenzene.

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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