Chemical Properties of [2H8]-1,4-Bis(chloromethyl)benzene

InChI

InChI=1S/C8H8Cl2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6H2/i1D,2D,3D,4D,5D2,6D2

InChI Key

ZZHIDJWUJRKHGX-MOBLDEHESA-N

Formula

C8H8Cl2

SMILES

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

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°	18.52	kJ/mol	Joback Calculated Property
logPoct/wat	3.164		Crippen Calculated Property
McVol	124.300	ml/mol	McGowan Calculated Property
Inp	[1288.00; 1381.00]
Inp	1381.00		NIST
Inp	1288.00		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	[147.30; 327.03]	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			1.79200e+00
Coefficient B			6.39000e-01
Coefficient C			-4.16360e-04
Coefficient D			1.02600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	147.30	J/mol×K	273.00	Calculated Property
Cp,gas	180.29	J/mol×K	353.78	Calculated Property
Cp,gas	209.27	J/mol×K	434.56	Calculated Property
Cp,gas	234.56	J/mol×K	515.33	Calculated Property
Cp,gas	256.49	J/mol×K	596.11	Calculated Property
Cp,gas	275.38	J/mol×K	676.89	Calculated Property
Cp,gas	291.55	J/mol×K	757.67	Calculated Property
Cp,gas	305.34	J/mol×K	838.44	Calculated Property
Cp,gas	317.05	J/mol×K	919.22	Calculated Property
Cp,gas	327.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024302; 0.0002687]	Pa×s	[278.70; 499.47]	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			-1.10019e+01
Coefficient B			1.38852e+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.			278.70
Temperature range, max.			499.47
η	0.0024302	Pa×s	278.70	Calculated Property
η	0.0016240	Pa×s	303.23	Calculated Property
η	0.0011528	Pa×s	327.76	Calculated Property
η	0.0008583	Pa×s	352.29	Calculated Property
η	0.0006641	Pa×s	376.82	Calculated Property
η	0.0005302	Pa×s	401.35	Calculated Property
η	0.0004344	Pa×s	425.88	Calculated Property
η	0.0003637	Pa×s	450.41	Calculated Property
η	0.0003102	Pa×s	474.94	Calculated Property
η	0.0002687	Pa×s	499.47	Calculated Property

Similar Compounds

Find more compounds similar to [2H8]-1,4-Bis(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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