Chemical Properties of Benzene, 1,4-dichloro-2-methyl- (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

• 2,5-Dichlorotoluene
• Toluene, 2,5-dichloro-

• 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).
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	77.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-5.70	kJ/mol	Joback Calculated Property
ΔfusH°	15.54	kJ/mol	Joback Calculated Property
ΔvapH°	43.55	kJ/mol	Joback Calculated Property
IE	[8.75; 8.81]	eV
IE	8.81	eV	NIST
IE	8.75 ± 0.02	eV	NIST
log10WS	-3.32		Crippen Calculated Property
logPoct/wat	3.302		Crippen Calculated Property
McVol	110.210	ml/mol	McGowan Calculated Property
Pc	3615.89	kPa	Joback Calculated Property
Inp	[1098.00; 1114.00]
Inp	1100.00		NIST
Inp	1114.00		NIST
Inp	1108.00		NIST
Inp	1098.00		NIST
Inp	1100.00		NIST
Inp	1114.00		NIST
Tboil	471.70	K	NIST
Tc	700.48	K	Joback Calculated Property
Tfus	279.95	K	Joback Calculated Property
Vc	0.417	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[186.67; 234.30]	J/mol×K	[471.06; 700.48]
Cp,gas	186.67	J/mol×K	471.06	Joback Calculated Property
Cp,gas	195.96	J/mol×K	509.30	Joback Calculated Property
Cp,gas	204.68	J/mol×K	547.53	Joback Calculated Property
Cp,gas	212.85	J/mol×K	585.77	Joback Calculated Property
Cp,gas	220.49	J/mol×K	624.01	Joback Calculated Property
Cp,gas	227.64	J/mol×K	662.24	Joback Calculated Property
Cp,gas	234.30	J/mol×K	700.48	Joback Calculated Property
η	[0.0002751; 0.0016666]	Pa×s	[279.95; 471.06]
η	0.0016666	Pa×s	279.95	Joback Calculated Property
η	0.0010588	Pa×s	311.80	Joback Calculated Property
η	0.0007317	Pa×s	343.65	Joback Calculated Property
η	0.0005384	Pa×s	375.50	Joback Calculated Property
η	0.0004156	Pa×s	407.36	Joback Calculated Property
η	0.0003331	Pa×s	439.21	Joback Calculated Property
η	0.0002751	Pa×s	471.06	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[346.02; 503.40]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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 Benzene, 1,4-dichloro-2-methyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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