Chemical Properties of Benzene, 2-chloro-5-(chloromethyl)-1,3-dimethyl

InChI

InChI=1S/C9H10Cl2/c1-6-3-8(5-10)4-7(2)9(6)11/h3-4H,5H2,1-2H3

InChI Key

SCTWFLQETRXRSP-UHFFFAOYSA-N

Formula

C9H10Cl2

SMILES

Cc1cc(CCl)cc(C)c1Cl

Molecular Weight¹

189.08

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	20.33	kJ/mol	Joback Calculated Property
IE	8.68	eV	Relay (1.0) Calculated Property
log10WS	-4.49		Relay (1.0) Calculated Property
logPoct/wat	3.696		Crippen Calculated Property
McVol	138.390	ml/mol	McGowan Calculated Property
Inp	[1344.00; 1344.00]
Inp	1344.00		NIST
Inp	1344.00		NIST
Tboil	518.40	K	Relay (1.0) Calculated Property
Tfus	335.75	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[173.61; 372.54]	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			2.94810e+01
Coefficient B			6.15040e-01
Coefficient C			-3.36680e-04
Coefficient D			6.47000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.61	J/mol×K	273.00	Calculated Property
Cp,gas	207.79	J/mol×K	353.78	Calculated Property
Cp,gas	238.48	J/mol×K	434.56	Calculated Property
Cp,gas	265.87	J/mol×K	515.33	Calculated Property
Cp,gas	290.18	J/mol×K	596.11	Calculated Property
Cp,gas	311.60	J/mol×K	676.89	Calculated Property
Cp,gas	330.34	J/mol×K	757.67	Calculated Property
Cp,gas	346.61	J/mol×K	838.44	Calculated Property
Cp,gas	360.61	J/mol×K	919.22	Calculated Property
Cp,gas	372.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013611; 0.0002401]	Pa×s	[315.01; 521.51]	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			-1.09808e+01
Coefficient B			1.38016e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			315.01
Temperature range, max.			521.51
η	0.0013611	Pa×s	315.01	Calculated Property
η	0.0010109	Pa×s	337.95	Calculated Property
η	0.0007797	Pa×s	360.90	Calculated Property
η	0.0006204	Pa×s	383.84	Calculated Property
η	0.0005065	Pa×s	406.79	Calculated Property
η	0.0004226	Pa×s	429.73	Calculated Property
η	0.0003591	Pa×s	452.67	Calculated Property
η	0.0003100	Pa×s	475.62	Calculated Property
η	0.0002712	Pa×s	498.56	Calculated Property
η	0.0002401	Pa×s	521.51	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 2-chloro-5-(chloromethyl)-1,3-dimethyl.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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