Chemical Properties of Benzene, 1,2-dichloro-4-methyl- (CAS 95-75-0)

InChI

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

InChI Key

WYUIWKFIFOJVKW-UHFFFAOYSA-N

Formula

C7H6Cl2

SMILES

Cc1ccc(Cl)c(Cl)c1

Molecular Weight¹

161.03

CAS

95-75-0

Other Names

• 3,4-Dichlorotoluene
• Toluene, 3,4-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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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
ω	0.3435		Relay (1.0) Calculated Property
ΔfG°	77.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-10.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.54	kJ/mol	Joback Calculated Property
ΔvapH°	52.97	kJ/mol	Relay (1.0) Calculated Property
IE	8.85	eV	NIST
log10WS	-3.77		Relay (1.0) 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	[1125.00; 1139.00]
Inp	1126.30		NIST
Inp	1139.00		NIST
Inp	1125.00		NIST
Tboil	482.10	K	NIST
Tc	710.28	K	Relay (1.0) Calculated Property
Tfus	[257.90; 258.15]	K
Tfus	258.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	257.90 ± 0.02	K	NIST
Vc	0.411	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Pressure Dependent Properties

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	[0.0024305; 0.0002477]	Pa×s	[258.02; 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.			258.02
Temperature range, max.			490.54
η	0.0024305	Pa×s	258.02	Calculated Property
η	0.0015677	Pa×s	283.86	Calculated Property
η	0.0010879	Pa×s	309.70	Calculated Property
η	0.0007987	Pa×s	335.53	Calculated Property
η	0.0006128	Pa×s	361.37	Calculated Property
η	0.0004872	Pa×s	387.20	Calculated Property
η	0.0003985	Pa×s	413.04	Calculated Property
η	0.0003338	Pa×s	438.87	Calculated Property
η	0.0002852	Pa×s	464.71	Calculated Property
η	0.0002477	Pa×s	490.54	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[353.14; 514.74]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39535e+01
Coefficient B			-3.79884e+03
Coefficient C			-7.51600e+01
Temperature range, min.			353.14
Temperature range, max.			514.74
Pvap	1.33	kPa	353.14	Calculated Property
Pvap	3.05	kPa	371.10	Calculated Property
Pvap	6.37	kPa	389.05	Calculated Property
Pvap	12.25	kPa	407.01	Calculated Property
Pvap	22.05	kPa	424.96	Calculated Property
Pvap	37.48	kPa	442.92	Calculated Property
Pvap	60.62	kPa	460.87	Calculated Property
Pvap	93.94	kPa	478.83	Calculated Property
Pvap	140.26	kPa	496.78	Calculated Property
Pvap	202.65	kPa	514.74	Calculated Property

Similar Compounds

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

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
• The Yaws Handbook of Vapor Pressure

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