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°	48.06	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
Tboil	460.20	K	NIST
Tc	676.65	K	Relay (1.0) Calculated Property
Tfus	274.33	K	Relay (1.0) Calculated Property
Vc	0.420	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[202.65; 261.31]	J/mol×K	[456.51; 676.11]
Cp,gas	202.65	J/mol×K	456.51	Joback Calculated Property
Cp,gas	213.88	J/mol×K	493.11	Joback Calculated Property
Cp,gas	224.50	J/mol×K	529.71	Joback Calculated Property
Cp,gas	234.54	J/mol×K	566.31	Joback Calculated Property
Cp,gas	244.00	J/mol×K	602.91	Joback Calculated Property
Cp,gas	252.92	J/mol×K	639.51	Joback Calculated Property
Cp,gas	261.31	J/mol×K	676.11	Joback Calculated Property
η	[0.0002426; 0.0016353]	Pa×s	[261.30; 456.51]
η	0.0016353	Pa×s	261.30	Joback Calculated Property
η	0.0009978	Pa×s	293.84	Joback Calculated Property
η	0.0006718	Pa×s	326.37	Joback Calculated Property
η	0.0004860	Pa×s	358.90	Joback Calculated Property
η	0.0003710	Pa×s	391.44	Joback Calculated Property
η	0.0002952	Pa×s	423.98	Joback Calculated Property
η	0.0002426	Pa×s	456.51	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[338.12; 490.83]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.