Chemical Properties of 2,5-Bis(chloromethyl)-p-xylene (CAS 6298-72-2)

InChI

InChI=1S/C10H12Cl2/c1-7-3-10(6-12)8(2)4-9(7)5-11/h3-4H,5-6H2,1-2H3

InChI Key

UYRPOMMBPQHVMN-UHFFFAOYSA-N

Formula

C10H12Cl2

SMILES

Cc1cc(CCl)c(C)cc1CCl

Molecular Weight¹

203.11

CAS

6298-72-2

Other Names

• 1,4-Bis(chloromethyl)-2,5-dimethylbenzene
• 1,4-Dimethyl-2,5-bis(chloromethyl)benzene
• 2,5-Di(Chloromethyl)-p-xylene
• Benzene, 1,4-bis(chloromethyl)-2,5-dimethyl-
• «alpha»(1),«alpha»(4)-Dichlorodurene

• 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).
• 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°	22.92	kJ/mol	Joback Calculated Property
IE	8.55	eV	Relay (1.0) Calculated Property
logPoct/wat	3.781		Crippen Calculated Property
McVol	152.480	ml/mol	McGowan Calculated Property
Inp	[1561.00; 1618.00]
Inp	1618.00		NIST
Inp	1561.00		NIST
Tboil	548.30	K	Relay (1.0) Calculated Property
Tfus	405.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

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, 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	[194.82; 424.13]	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			2.85720e+01
Coefficient B			7.10040e-01
Coefficient C			-3.91080e-04
Coefficient D			7.66000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	194.82	J/mol×K	273.00	Calculated Property
Cp,gas	234.21	J/mol×K	353.78	Calculated Property
Cp,gas	269.56	J/mol×K	434.56	Calculated Property
Cp,gas	301.10	J/mol×K	515.33	Calculated Property
Cp,gas	329.09	J/mol×K	596.11	Calculated Property
Cp,gas	353.76	J/mol×K	676.89	Calculated Property
Cp,gas	375.36	J/mol×K	757.67	Calculated Property
Cp,gas	394.13	J/mol×K	838.44	Calculated Property
Cp,gas	410.30	J/mol×K	919.22	Calculated Property
Cp,gas	424.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005703; 0.0002360]	Pa×s	[405.15; 534.81]	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			-1.11082e+01
Coefficient B			1.47432e+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.			405.15
Temperature range, max.			534.81
η	0.0005703	Pa×s	405.15	Calculated Property
η	0.0005033	Pa×s	419.56	Calculated Property
η	0.0004479	Pa×s	433.96	Calculated Property
η	0.0004016	Pa×s	448.37	Calculated Property
η	0.0003625	Pa×s	462.77	Calculated Property
η	0.0003293	Pa×s	477.18	Calculated Property
η	0.0003008	Pa×s	491.59	Calculated Property
η	0.0002762	Pa×s	505.99	Calculated Property
η	0.0002548	Pa×s	520.40	Calculated Property
η	0.0002360	Pa×s	534.81	Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Bis(chloromethyl)-p-xylene.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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