Chemical Properties of Benzene, 2,4-dichloro-1-(chloromethyl)- (CAS 94-99-5)

InChI

InChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2

InChI Key

IRSVDHPYXFLLDS-UHFFFAOYSA-N

Formula

C7H5Cl3

SMILES

ClCc1ccc(Cl)cc1Cl

Molecular Weight¹

195.47

CAS

94-99-5

Other Names

• 2,4-Dichloro-1-(chloromethyl)benzene
• 2,4-Dichlorobenzyl chloride
• Toluene, «alpha»2,4-trichloro-
• Toluene, «alpha»2,4-trichloro-
• «alpha»,2,4-Trichlorotoluene
• «alpha»,2,4-Trichlorotoluene

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[208.02; 251.62]	J/mol×K	[508.49; 743.54]
Cp,gas	208.02	J/mol×K	508.49	Joback Calculated Property
Cp,gas	216.67	J/mol×K	547.67	Joback Calculated Property
Cp,gas	224.73	J/mol×K	586.84	Joback Calculated Property
Cp,gas	232.23	J/mol×K	626.02	Joback Calculated Property
Cp,gas	239.19	J/mol×K	665.19	Joback Calculated Property
Cp,gas	245.65	J/mol×K	704.37	Joback Calculated Property
Cp,gas	251.62	J/mol×K	743.54	Joback Calculated Property
η	[0.0002870; 0.0017070]	Pa×s	[309.87; 508.49]
η	0.0017070	Pa×s	309.87	Joback Calculated Property
η	0.0010988	Pa×s	342.97	Joback Calculated Property
η	0.0007643	Pa×s	376.08	Joback Calculated Property
η	0.0005638	Pa×s	409.18	Joback Calculated Property
η	0.0004353	Pa×s	442.28	Joback Calculated Property
η	0.0003484	Pa×s	475.39	Joback Calculated Property
η	0.0002870	Pa×s	508.49	Joback Calculated Property
ΔvapH	54.60	kJ/mol	495.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[381.92; 556.66]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.38187e+01
Coefficient B			-4.00371e+03
Coefficient C			-8.60300e+01
Temperature range, min.			381.92
Temperature range, max.			556.66
Pvap	1.33	kPa	381.92	Calculated Property
Pvap	3.07	kPa	401.34	Calculated Property
Pvap	6.41	kPa	420.75	Calculated Property
Pvap	12.34	kPa	440.17	Calculated Property
Pvap	22.21	kPa	459.58	Calculated Property
Pvap	37.72	kPa	479.00	Calculated Property
Pvap	60.94	kPa	498.41	Calculated Property
Pvap	94.30	kPa	517.83	Calculated Property
Pvap	140.54	kPa	537.24	Calculated Property
Pvap	202.66	kPa	556.66	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 2,4-dichloro-1-(chloromethyl)-.

Sources

• 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.