Chemical Properties of m-Xylene, 5-chloro- (CAS 556-97-8)

InChI

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

InChI Key

FKKLHLZFSZGXBN-UHFFFAOYSA-N

Formula

C8H9Cl

SMILES

Cc1cc(C)cc(Cl)c1

Molecular Weight¹

140.61

CAS

556-97-8

Other Names

• 1-Chloro-3,5-xylene
• 1-chloro-3,5-dimethylbenzene
• 5-Chloro-1,3-xylene
• 5-Chloro-m-xylene
• Benzene, 1-chloro-3,5-dimethyl-

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3588		Relay (1.0) Calculated Property
ΔfG°	97.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-15.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.94	kJ/mol	Joback Calculated Property
ΔvapH°	48.02	kJ/mol	Relay (1.0) Calculated Property
IE	8.69	eV	Relay (1.0) Calculated Property
log10WS	-3.75		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	[1056.00; 1090.00]
Inp	1090.00		NIST
Inp	1056.00		NIST
Inp	1056.00		NIST
Inp	1090.00		NIST
Tboil	457.12	K	Relay (1.0) Calculated Property
Tc	670.47	K	Relay (1.0) Calculated Property
Tfus	256.70	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

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; 202.63]	kPa	[340.36; 492.32]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42544e+01
Coefficient B			-3.77816e+03
Coefficient C			-6.98500e+01
Temperature range, min.			340.36
Temperature range, max.			492.32
Pvap	1.33	kPa	340.36	Calculated Property
Pvap	3.03	kPa	357.24	Calculated Property
Pvap	6.28	kPa	374.13	Calculated Property
Pvap	12.07	kPa	391.01	Calculated Property
Pvap	21.71	kPa	407.90	Calculated Property
Pvap	36.95	kPa	424.78	Calculated Property
Pvap	59.92	kPa	441.67	Calculated Property
Pvap	93.17	kPa	458.55	Calculated Property
Pvap	139.64	kPa	475.44	Calculated Property
Pvap	202.63	kPa	492.32	Calculated Property

Similar Compounds

Find more compounds similar to m-Xylene, 5-chloro-.

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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