Chemical Properties of Benzene, 1,4-dichloro-2,5-dimethyl-

InChI

InChI=1S/C8H8Cl2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3

InChI Key

UTGSRNVBAFCOEU-UHFFFAOYSA-N

Formula

C8H8Cl2

SMILES

Cc1cc(Cl)c(C)cc1Cl

Molecular Weight¹

175.06

Other Names

• 2,5-Dichloro-1,4-dimethylbenzene
• 2,5-Dichloro-p-xylene
• 2,5-Dichloro-para-xylene
• p-Xylene, 2,5-dichloro-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3943		Relay (1.0) Calculated Property
ΔfG°	76.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-46.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.74	kJ/mol	Joback Calculated Property
ΔvapH°	54.11	kJ/mol	Relay (1.0) Calculated Property
IE	8.57	eV	Relay (1.0) Calculated Property
log10WS	-4.90		Relay (1.0) Calculated Property
logPoct/wat	3.610		Crippen Calculated Property
McVol	124.300	ml/mol	McGowan Calculated Property
Pc	3177.55	kPa	Joback Calculated Property
Inp	[1215.00; 1242.00]
Inp	1242.00		NIST
Inp	1220.00		NIST
Inp	1218.00		NIST
Inp	1215.00		NIST
Tboil	495.20	K	NIST
Tc	715.98	K	Relay (1.0) Calculated Property
Tfus	342.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[152.40; 320.95]	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			3.03900e+01
Coefficient B			5.20040e-01
Coefficient C			-2.82280e-04
Coefficient D			5.28000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	152.40	J/mol×K	273.00	Calculated Property
Cp,gas	181.38	J/mol×K	353.78	Calculated Property
Cp,gas	207.40	J/mol×K	434.56	Calculated Property
Cp,gas	230.65	J/mol×K	515.33	Calculated Property
Cp,gas	251.27	J/mol×K	596.11	Calculated Property
Cp,gas	269.44	J/mol×K	676.89	Calculated Property
Cp,gas	285.33	J/mol×K	757.67	Calculated Property
Cp,gas	299.10	J/mol×K	838.44	Calculated Property
Cp,gas	310.91	J/mol×K	919.22	Calculated Property
Cp,gas	320.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008203; 0.0002415]	Pa×s	[342.65; 508.25]	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			-1.08589e+01
Coefficient B			1.28600e+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.			342.65
Temperature range, max.			508.25
η	0.0008203	Pa×s	342.65	Calculated Property
η	0.0006775	Pa×s	361.05	Calculated Property
η	0.0005701	Pa×s	379.45	Calculated Property
η	0.0004874	Pa×s	397.85	Calculated Property
η	0.0004225	Pa×s	416.25	Calculated Property
η	0.0003707	Pa×s	434.65	Calculated Property
η	0.0003287	Pa×s	453.05	Calculated Property
η	0.0002942	Pa×s	471.45	Calculated Property
η	0.0002656	Pa×s	489.85	Calculated Property
η	0.0002415	Pa×s	508.25	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,4-dichloro-2,5-dimethyl-.

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)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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