Chemical Properties of Benzene, 2-chloro-1,4-dimethyl- (CAS 95-72-7)

InChI

InChI=1S/C8H9Cl/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3

InChI Key

KZNRNQGTVRTDPN-UHFFFAOYSA-N

Formula

C8H9Cl

SMILES

Cc1ccc(C)c(Cl)c1

Molecular Weight¹

140.61

CAS

95-72-7

Other Names

• 1-Chloro-2,5-dimethylbenzene
• 2-Chloro-1,4-dimethylbenzene
• 2-Chloro-p-xylene
• Chloro-p-xylene
• p-Xylene, 2-chloro-

• 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).
• 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
ω	0.3437		Relay (1.0) Calculated Property
ΔfG°	97.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-16.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.94	kJ/mol	Joback Calculated Property
ΔvapH°	48.85	kJ/mol	Relay (1.0) Calculated Property
IE	8.52	eV	Relay (1.0) Calculated Property
log10WS	-3.66		Relay (1.0) Calculated Property
logPoct/wat	2.957		Crippen Calculated Property
McVol	112.060	ml/mol	McGowan Calculated Property
Pc	3372.36	kPa	Joback Calculated Property
Inp	[1042.00; 1077.00]
Inp	Outlier 1077.00		NIST
Inp	1051.00		NIST
Inp	1046.00		NIST
Inp	1042.00		NIST
Inp	1054.00		NIST
Inp	1049.00		NIST
Inp	1044.00		NIST
Inp	1054.00		NIST
Tboil	460.20	K	NIST
Tc	681.10	K	Relay (1.0) Calculated Property
Tfus	265.18	K	Relay (1.0) Calculated Property
Vc	0.422	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[136.44; 315.72]	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			3.20000e+00
Coefficient B			5.72740e-01
Coefficient C			-3.28920e-04
Coefficient D			6.87000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	136.44	J/mol×K	273.00	Calculated Property
Cp,gas	167.70	J/mol×K	353.78	Calculated Property
Cp,gas	195.61	J/mol×K	434.56	Calculated Property
Cp,gas	220.40	J/mol×K	515.33	Calculated Property
Cp,gas	242.29	J/mol×K	596.11	Calculated Property
Cp,gas	261.48	J/mol×K	676.89	Calculated Property
Cp,gas	278.21	J/mol×K	757.67	Calculated Property
Cp,gas	292.68	J/mol×K	838.44	Calculated Property
Cp,gas	305.11	J/mol×K	919.22	Calculated Property
Cp,gas	315.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016353; 0.0002214]	Pa×s	[261.30; 473.48]	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			-1.08780e+01
Coefficient B			1.16594e+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.			261.30
Temperature range, max.			473.48
η	0.0016353	Pa×s	261.30	Calculated Property
η	0.0011304	Pa×s	284.88	Calculated Property
η	0.0008267	Pa×s	308.45	Calculated Property
η	0.0006321	Pa×s	332.03	Calculated Property
η	0.0005008	Pa×s	355.60	Calculated Property
η	0.0004085	Pa×s	379.18	Calculated Property
η	0.0003412	Pa×s	402.75	Calculated Property
η	0.0002907	Pa×s	426.33	Calculated Property
η	0.0002519	Pa×s	449.91	Calculated Property
η	0.0002214	Pa×s	473.48	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[338.12; 490.83]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41627e+01
Coefficient B			-3.73307e+03
Coefficient C			-6.90720e+01
Temperature range, min.			338.12
Temperature range, max.			490.83
Pvap	1.33	kPa	338.12	Calculated Property
Pvap	3.04	kPa	355.09	Calculated Property
Pvap	6.31	kPa	372.06	Calculated Property
Pvap	12.12	kPa	389.02	Calculated Property
Pvap	21.82	kPa	405.99	Calculated Property
Pvap	37.11	kPa	422.96	Calculated Property
Pvap	60.13	kPa	439.93	Calculated Property
Pvap	93.41	kPa	456.89	Calculated Property
Pvap	139.83	kPa	473.86	Calculated Property
Pvap	202.65	kPa	490.83	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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