Chemical Properties of Benzene, 1,2,3,4-tetrachloro-5-methoxy- (CAS 938-86-3)

InChI

InChI=1S/C7H4Cl4O/c1-12-4-2-3(8)5(9)7(11)6(4)10/h2H,1H3

InChI Key

FUUHMSUPRUNWRQ-UHFFFAOYSA-N

Formula

C7H4Cl4O

SMILES

COc1cc(Cl)c(Cl)c(Cl)c1Cl

Molecular Weight¹

245.92

CAS

938-86-3

Other Names

• 1,2,3,4-tetrachloro-5-methoxybenzene
• 2,3,4,5-Tetrachloroanisole
• 2,4,3,5-tetrachloroanisole
• Anisole, 2,3,4,5-tetrachloro-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• I_np : Non-polar retention indices.
• I : 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
ΔfH°gas	-158.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.35	kJ/mol	Joback Calculated Property
ΔvapH°	73.72	kJ/mol	Relay (1.0) Calculated Property
IE	8.51	eV	Relay (1.0) Calculated Property
log10WS	-5.26		Aq. Solubility Prediction
logPoct/wat	4.309		Crippen Calculated Property
McVol	140.560	ml/mol	McGowan Calculated Property
Inp	[1618.00; 1660.00]
Inp	1618.00		NIST
Inp	1633.00		NIST
Inp	1649.00		NIST
Inp	1660.00		NIST
Inp	1620.00		NIST
Inp	1644.00		NIST
Inp	1629.00		NIST
Inp	1629.00		NIST
Inp	1660.00		NIST
Inp	1618.00		NIST
I	[2319.00; 2369.00]
I	2319.00		NIST
I	2340.00		NIST
I	2367.00		NIST
I	2369.00		NIST
I	2336.00		NIST
I	2362.00		NIST
Tboil	563.28	K	Relay (1.0) Calculated Property
Tfus	338.49	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[245.24; 283.12]	J/mol×K	[578.30; 816.84]
Cp,gas	245.24	J/mol×K	578.30	Joback Calculated Property
Cp,gas	252.60	J/mol×K	618.06	Joback Calculated Property
Cp,gas	259.55	J/mol×K	657.81	Joback Calculated Property
Cp,gas	266.09	J/mol×K	697.57	Joback Calculated Property
Cp,gas	272.20	J/mol×K	737.33	Joback Calculated Property
Cp,gas	277.88	J/mol×K	777.08	Joback Calculated Property
Cp,gas	283.12	J/mol×K	816.84	Joback Calculated Property
η	[0.0002195; 0.0008652]	Pa×s	[387.06; 578.30]
η	0.0008652	Pa×s	387.06	Joback Calculated Property
η	0.0006311	Pa×s	418.93	Joback Calculated Property
η	0.0004813	Pa×s	450.81	Joback Calculated Property
η	0.0003804	Pa×s	482.68	Joback Calculated Property
η	0.0003096	Pa×s	514.55	Joback Calculated Property
η	0.0002581	Pa×s	546.43	Joback Calculated Property
η	0.0002195	Pa×s	578.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,2,3,4-tetrachloro-5-methoxy-.

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
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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.
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