Chemical Properties of Benzene, 2,4-dichloro-1-methoxy- (CAS 553-82-2)

InChI

InChI=1S/C7H6Cl2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3

InChI Key

CICQUFBZCADHHX-UHFFFAOYSA-N

Formula

C7H6Cl2O

SMILES

COc1ccc(Cl)cc1Cl

Molecular Weight¹

177.03

CAS

553-82-2

Other Names

• Anisole, 2,4-dichloro-
• 1,5-Dichloro-2-methoxybenzene
• 2,4-Dichloro-1-methoxybenzene
• 2,4-Dichloroanisole
• Benzene, 1,3-dichloro-4-methoxy

• 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).
• 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.
• I : 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
ΔfG°	-27.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-137.92	kJ/mol	Joback Calculated Property
ΔfusH°	16.73	kJ/mol	Joback Calculated Property
ΔvapH°	45.96	kJ/mol	Joback Calculated Property
log10WS	-2.96		Crippen Calculated Property
logPoct/wat	3.002		Crippen Calculated Property
McVol	116.080	ml/mol	McGowan Calculated Property
Pc	3543.08	kPa	Joback Calculated Property
Inp	[1249.00; 1299.90]
Inp	1265.00		NIST
Inp	1272.00		NIST
Inp	1282.00		NIST
Inp	1256.00		NIST
Inp	1269.00		NIST
Inp	1253.00		NIST
Inp	1263.00		NIST
Inp	Outlier 1299.90		NIST
Inp	1249.00		NIST
Inp	1250.00		NIST
Inp	1265.00		NIST
I	[1857.00; 1905.00]
I	1885.00		NIST
I	1905.00		NIST
I	1902.00		NIST
I	1869.00		NIST
I	1857.00		NIST
I	1868.00		NIST
Tboil	493.48	K	Joback Calculated Property
Tc	720.45	K	Joback Calculated Property
Tfus	302.18	K	Joback Calculated Property
Vc	0.435	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[206.95; 254.69]	J/mol×K	[493.48; 720.45]
Cp,gas	206.95	J/mol×K	493.48	Joback Calculated Property
Cp,gas	216.08	J/mol×K	531.31	Joback Calculated Property
Cp,gas	224.74	J/mol×K	569.14	Joback Calculated Property
Cp,gas	232.93	J/mol×K	606.96	Joback Calculated Property
Cp,gas	240.65	J/mol×K	644.79	Joback Calculated Property
Cp,gas	247.90	J/mol×K	682.62	Joback Calculated Property
Cp,gas	254.69	J/mol×K	720.45	Joback Calculated Property
η	[0.0002335; 0.0013457]	Pa×s	[302.18; 493.48]
η	0.0013457	Pa×s	302.18	Joback Calculated Property
η	0.0008743	Pa×s	334.06	Joback Calculated Property
η	0.0006124	Pa×s	365.95	Joback Calculated Property
η	0.0004541	Pa×s	397.83	Joback Calculated Property
η	0.0003521	Pa×s	429.71	Joback Calculated Property
η	0.0002827	Pa×s	461.60	Joback Calculated Property
η	0.0002335	Pa×s	493.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 2,4-dichloro-1-methoxy-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.