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
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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[247.42; 295.35]	J/mol×K	[541.53; 774.62]
Cp,gas	247.42	J/mol×K	541.53	Joback Calculated Property
Cp,gas	256.66	J/mol×K	580.38	Joback Calculated Property
Cp,gas	265.38	J/mol×K	619.23	Joback Calculated Property
Cp,gas	273.59	J/mol×K	658.08	Joback Calculated Property
Cp,gas	281.32	J/mol×K	696.93	Joback Calculated Property
Cp,gas	288.57	J/mol×K	735.77	Joback Calculated Property
Cp,gas	295.35	J/mol×K	774.62	Joback Calculated Property
η	[0.0002528; 0.0010943]	Pa×s	[346.18; 541.53]
η	0.0010943	Pa×s	346.18	Joback Calculated Property
η	0.0007718	Pa×s	378.74	Joback Calculated Property
η	0.0005753	Pa×s	411.30	Joback Calculated Property
η	0.0004477	Pa×s	443.86	Joback Calculated Property
η	0.0003605	Pa×s	476.41	Joback Calculated Property
η	0.0002985	Pa×s	508.97	Joback Calculated Property
η	0.0002528	Pa×s	541.53	Joback 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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