Chemical Properties of Benzene, 1,2,5-trichloro-3-methoxy- (CAS 54135-81-8)

InChI

InChI=1S/C7H5Cl3O/c1-11-6-3-4(8)2-5(9)7(6)10/h2-3H,1H3

InChI Key

VGGPULNMTUAGOK-UHFFFAOYSA-N

Formula

C7H5Cl3O

SMILES

COc1cc(Cl)cc(Cl)c1Cl

Molecular Weight¹

211.47

CAS

54135-81-8

Other Names

• 2,3,5-Trichloroanisole
• Benzene, 1,2,4-trichloro-6-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°	-49.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-165.13	kJ/mol	Joback Calculated Property
ΔfusH°	20.54	kJ/mol	Joback Calculated Property
ΔvapH°	51.00	kJ/mol	Joback Calculated Property
log10WS	-3.65		Crippen Calculated Property
logPoct/wat	3.655		Crippen Calculated Property
McVol	128.320	ml/mol	McGowan Calculated Property
Pc	3333.53	kPa	Joback Calculated Property
Inp	[1418.00; 1470.80]
Inp	1428.00		NIST
Inp	1437.00		NIST
Inp	1452.00		NIST
Inp	1440.00		NIST
Inp	1418.00		NIST
Inp	1433.00		NIST
Inp	Outlier 1470.80		NIST
Inp	1426.00		NIST
Inp	1426.00		NIST
Inp	1428.00		NIST
I	[2047.00; 2098.00]
I	2067.00		NIST
I	2085.00		NIST
I	2098.00		NIST
I	2065.00		NIST
I	2047.00		NIST
I	2060.00		NIST
I	2067.00		NIST
Tboil	535.89	K	Joback Calculated Property
Tc	769.13	K	Joback Calculated Property
Tfus	344.62	K	Joback Calculated Property
Vc	0.484	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[227.05; 269.77]	J/mol×K	[535.89; 769.13]
Cp,gas	227.05	J/mol×K	535.89	Joback Calculated Property
Cp,gas	235.28	J/mol×K	574.76	Joback Calculated Property
Cp,gas	243.06	J/mol×K	613.64	Joback Calculated Property
Cp,gas	250.41	J/mol×K	652.51	Joback Calculated Property
Cp,gas	257.31	J/mol×K	691.39	Joback Calculated Property
Cp,gas	263.76	J/mol×K	730.26	Joback Calculated Property
Cp,gas	269.77	J/mol×K	769.13	Joback Calculated Property
η	[0.0002296; 0.0010690]	Pa×s	[344.62; 535.89]
η	0.0010690	Pa×s	344.62	Joback Calculated Property
η	0.0007421	Pa×s	376.50	Joback Calculated Property
η	0.0005454	Pa×s	408.38	Joback Calculated Property
η	0.0004192	Pa×s	440.26	Joback Calculated Property
η	0.0003338	Pa×s	472.13	Joback Calculated Property
η	0.0002735	Pa×s	504.01	Joback Calculated Property
η	0.0002296	Pa×s	535.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,2,5-trichloro-3-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.