Chemical Properties of [2H8]-2-Chloro-1-(Chloromethyl)-4-methylbenzene

InChI

InChI=1S/C8H8Cl2/c1-6-2-3-7(5-9)8(10)4-6/h2-4H,5H2,1H3/i1D3,2D,3D,4D,5D2

InChI Key

RQYVMDCDEGTWQD-ANBDHSGPSA-N

Formula

C8H8Cl2

SMILES

[2H]c1c([2H])c(C([2H])([2H])Cl)c(Cl)c([2H])c1C([2H])([2H])[2H]

Molecular Weight¹

183.11

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	18.13	kJ/mol	Joback Calculated Property
logPoct/wat	3.387		Crippen Calculated Property
McVol	124.300	ml/mol	McGowan Calculated Property
Inp	[1240.00; 1297.00]
Inp	1297.00		NIST
Inp	1240.00		NIST
Inp	1297.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Ionization energy, 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	[149.85; 323.99]	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			1.60910e+01
Coefficient B			5.79520e-01
Coefficient C			-3.49320e-04
Coefficient D			7.77000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	149.85	J/mol×K	273.00	Calculated Property
Cp,gas	180.83	J/mol×K	353.78	Calculated Property
Cp,gas	208.34	J/mol×K	434.56	Calculated Property
Cp,gas	232.60	J/mol×K	515.33	Calculated Property
Cp,gas	253.88	J/mol×K	596.11	Calculated Property
Cp,gas	272.41	J/mol×K	676.89	Calculated Property
Cp,gas	288.44	J/mol×K	757.67	Calculated Property
Cp,gas	302.22	J/mol×K	838.44	Calculated Property
Cp,gas	313.98	J/mol×K	919.22	Calculated Property
Cp,gas	323.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018071; 0.0002602]	Pa×s	[291.22; 503.87]	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			-1.09079e+01
Coefficient B			1.33726e+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.			291.22
Temperature range, max.			503.87
η	0.0018071	Pa×s	291.22	Calculated Property
η	0.0012804	Pa×s	314.85	Calculated Property
η	0.0009519	Pa×s	338.48	Calculated Property
η	0.0007356	Pa×s	362.10	Calculated Property
η	0.0005866	Pa×s	385.73	Calculated Property
η	0.0004802	Pa×s	409.36	Calculated Property
η	0.0004018	Pa×s	432.99	Calculated Property
η	0.0003425	Pa×s	456.61	Calculated Property
η	0.0002965	Pa×s	480.24	Calculated Property
η	0.0002602	Pa×s	503.87	Calculated Property

Similar Compounds

Find more compounds similar to [2H8]-2-Chloro-1-(Chloromethyl)-4-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
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.