Chemical Properties of Benzene, 1-chloro-2,4-dimethyl- (CAS 95-66-9)

InChI

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

InChI Key

UIEVCEQLNUHDIF-UHFFFAOYSA-N

Formula

C8H9Cl

SMILES

Cc1ccc(Cl)c(C)c1

Molecular Weight¹

140.61

CAS

95-66-9

Other Names

• 1-Chloro-2,4-dimethylbenzene
• 4-Chloro-m-xylene
• m-Xylene, 4-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	0.3431		Relay (1.0) Calculated Property
ΔfG°	97.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-19.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.94	kJ/mol	Joback Calculated Property
ΔvapH°	49.05	kJ/mol	Relay (1.0) Calculated Property
IE	8.49	eV	Relay (1.0) Calculated Property
log10WS	-3.62		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	[1050.00; 1057.00]
Inp	1057.00		NIST
Inp	1050.00		NIST
Inp	1054.00		NIST
Inp	1057.00		NIST
Inp	1054.00		NIST
Tboil	460.21	K	Relay (1.0) Calculated Property
Tc	680.30	K	Relay (1.0) Calculated Property
Tfus	240.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.419	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	[0.0023982; 0.0002214]	Pa×s	[240.65; 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.			240.65
Temperature range, max.			473.48
η	0.0023982	Pa×s	240.65	Calculated Property
η	0.0014985	Pa×s	266.52	Calculated Property
η	0.0010175	Pa×s	292.39	Calculated Property
η	0.0007358	Pa×s	318.26	Calculated Property
η	0.0005587	Pa×s	344.13	Calculated Property
η	0.0004408	Pa×s	370.00	Calculated Property
η	0.0003588	Pa×s	395.87	Calculated Property
η	0.0002995	Pa×s	421.74	Calculated Property
η	0.0002553	Pa×s	447.61	Calculated Property
η	0.0002214	Pa×s	473.48	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[335.72; 494.10]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.37963e+01
Coefficient B			-3.61333e+03
Coefficient C			-6.82380e+01
Temperature range, min.			335.72
Temperature range, max.			494.10
Pvap	1.33	kPa	335.72	Calculated Property
Pvap	3.07	kPa	353.32	Calculated Property
Pvap	6.41	kPa	370.92	Calculated Property
Pvap	12.36	kPa	388.51	Calculated Property
Pvap	22.24	kPa	406.11	Calculated Property
Pvap	37.76	kPa	423.71	Calculated Property
Pvap	61.00	kPa	441.31	Calculated Property
Pvap	94.36	kPa	458.90	Calculated Property
Pvap	140.58	kPa	476.50	Calculated Property
Pvap	202.66	kPa	494.10	Calculated Property

Similar Compounds

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

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

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.