Chemical Properties of 2,5-DICHLOROTOLUENE (CAS 19398-61-9)

InChI

InChI=1S/C7H6Cl2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3

InChI Key

KFAKZJUYBOYVKA-UHFFFAOYSA-N

Formula

C7H6Cl2

SMILES

Cc1cc(Cl)ccc1Cl

Molecular Weight¹

161.03

CAS

19398-61-9

Other Names

• Benzene, 1,4-dichloro-2-methyl-
• Toluene, 2,5-dichloro-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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_vap : Vapor 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
ΔfH°gas	-11.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.54	kJ/mol	Joback Calculated Property
ΔvapH°	52.01	kJ/mol	Relay (1.0) Calculated Property
IE	[8.75; 8.81]	eV
IE	8.81	eV	NIST
IE	8.75 ± 0.02	eV	NIST
log10WS	-3.98		Relay (1.0) Calculated Property
logPoct/wat	3.302		Crippen Calculated Property
McVol	110.210	ml/mol	McGowan Calculated Property
Inp	[1098.00; 1114.00]
Inp	1100.00		NIST
Inp	1100.00		NIST
Inp	1114.00		NIST
Inp	1108.00		NIST
Inp	1098.00		NIST
Inp	1114.00		NIST
Tboil	471.70	K	NIST
Tc	703.16	K	Relay (1.0) Calculated Property
Tfus	278.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Pressure, Critical Volume, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[128.63; 272.40]	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			1.70000e+01
Coefficient B			4.84520e-01
Coefficient C			-2.94920e-04
Coefficient D			6.58000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	128.63	J/mol×K	273.00	Calculated Property
Cp,gas	154.41	J/mol×K	353.78	Calculated Property
Cp,gas	177.26	J/mol×K	434.56	Calculated Property
Cp,gas	197.37	J/mol×K	515.33	Calculated Property
Cp,gas	214.97	J/mol×K	596.11	Calculated Property
Cp,gas	230.25	J/mol×K	676.89	Calculated Property
Cp,gas	243.42	J/mol×K	757.67	Calculated Property
Cp,gas	254.70	J/mol×K	838.44	Calculated Property
Cp,gas	264.29	J/mol×K	919.22	Calculated Property
Cp,gas	272.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017152; 0.0002477]	Pa×s	[278.15; 490.54]	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			-1.08374e+01
Coefficient B			1.24310e+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.			278.15
Temperature range, max.			490.54
η	0.0017152	Pa×s	278.15	Calculated Property
η	0.0012092	Pa×s	301.75	Calculated Property
η	0.0008969	Pa×s	325.35	Calculated Property
η	0.0006927	Pa×s	348.95	Calculated Property
η	0.0005527	Pa×s	372.55	Calculated Property
η	0.0004531	Pa×s	396.15	Calculated Property
η	0.0003798	Pa×s	419.75	Calculated Property
η	0.0003244	Pa×s	443.35	Calculated Property
η	0.0002815	Pa×s	466.94	Calculated Property
η	0.0002477	Pa×s	490.54	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[346.02; 503.40]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40370e+01
Coefficient B			-3.75818e+03
Coefficient C			-7.26860e+01
Temperature range, min.			346.02
Temperature range, max.			503.40
Pvap	1.33	kPa	346.02	Calculated Property
Pvap	3.05	kPa	363.51	Calculated Property
Pvap	6.34	kPa	380.99	Calculated Property
Pvap	12.20	kPa	398.48	Calculated Property
Pvap	21.96	kPa	415.97	Calculated Property
Pvap	37.33	kPa	433.45	Calculated Property
Pvap	60.42	kPa	450.94	Calculated Property
Pvap	93.73	kPa	468.43	Calculated Property
Pvap	140.09	kPa	485.91	Calculated Property
Pvap	202.66	kPa	503.40	Calculated Property

Similar Compounds

Find more compounds similar to 2,5-DICHLOROTOLUENE.

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
• The Yaws Handbook of Vapor Pressure

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