Chemical Properties of [2H8]-2-Chloro-1-(Chloromethyl)-4-methylbenzene

InChI

InChI=1S/C8H8Cl2/c1-6-2-3-7(5-9)8(10)4-6/h2-4H,5H2,1H3/i1D3,2D,3D,4D,5D2

InChI Key

RQYVMDCDEGTWQD-ANBDHSGPSA-N

Formula

C8D8Cl2

SMILES

Cc1ccc(CCl)c(Cl)c1

Molecular Weight¹

183.10

• 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).
• 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	0.3901		Relay (... Calculated Property
ΔfG°	85.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-43.32	kJ/mol	Relay (... Calculated Property
ΔfusH°	18.13	kJ/mol	Joback Calculated Property
ΔvapH°	56.76	kJ/mol	Relay (... Calculated Property
IE	8.74	eV	Relay (... Calculated Property
log10WS	-3.68		Relay (... Calculated Property
logPoct/wat	3.387		Crippen Calculated Property
McVol	124.300	ml/mol	McGowan Calculated Property
Pc	3231.98	kPa	Joback Calculated Property
Inp	[1240.00; 1297.00]
Inp	1297.00		NIST
Inp	1240.00		NIST
Inp	1297.00		NIST
Tboil	503.87	K	Relay (... Calculated Property
Tc	729.78	K	Relay (... Calculated Property
Tfus	301.21	K	Relay (... Calculated Property
Vc	0.451	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[226.48; 281.16]	J/mol×K	[493.94; 719.52]
Cp,gas	226.48	J/mol×K	493.94	Joback Calculated Property
Cp,gas	237.10	J/mol×K	531.54	Joback Calculated Property
Cp,gas	247.09	J/mol×K	569.13	Joback Calculated Property
Cp,gas	256.47	J/mol×K	606.73	Joback Calculated Property
Cp,gas	265.25	J/mol×K	644.33	Joback Calculated Property
Cp,gas	273.48	J/mol×K	681.92	Joback Calculated Property
Cp,gas	281.16	J/mol×K	719.52	Joback Calculated Property
η	[0.0002624; 0.0017277]	Pa×s	[291.22; 493.94]
η	0.0017277	Pa×s	291.22	Joback Calculated Property
η	0.0010719	Pa×s	325.01	Joback Calculated Property
η	0.0007276	Pa×s	358.79	Joback Calculated Property
η	0.0005279	Pa×s	392.58	Joback Calculated Property
η	0.0004030	Pa×s	426.37	Joback Calculated Property
η	0.0003201	Pa×s	460.15	Joback Calculated Property
η	0.0002624	Pa×s	493.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to [2H8]-2-Chloro-1-(Chloromethyl)-4-methylbenzene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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