Chemical Properties of Anisole, 2,3,4,5,6-pentachloro- (CAS 1825-21-4)

InChI

InChI=1S/C7H3Cl5O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3

InChI Key

BBABSCYTNHOKOG-UHFFFAOYSA-N

Formula

C7H3Cl5O

SMILES

COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

Molecular Weight¹

280.36

CAS

1825-21-4

Other Names

• Benzene, pentachloromethoxy-
• Methyl pentachlorophenate
• Methyl pentachlorophenyl ether
• Pentachloroanisole
• Pentachloromethoxybenzene
• 2,3,4,5,6-Pentachloroanisole
• Methyl pentachlorophenyl ester
• NCI-C56520
• Pentachlorophenyl methyl ether
• PCP, Methyl ether
• Phenol, pentachloro-, methylated

• 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°	-92.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-219.55	kJ/mol	Joback Calculated Property
ΔfusH°	28.16	kJ/mol	Joback Calculated Property
ΔvapH°	61.10	kJ/mol	Joback Calculated Property
log10WS	-5.02		Crippen Calculated Property
logPoct/wat	4.962		Crippen Calculated Property
McVol	152.800	ml/mol	McGowan Calculated Property
Pc	2966.57	kPa	Joback Calculated Property
Inp	[291.70; 1754.20]
Inp	1681.00		NIST
Inp	1699.00		NIST
Inp	1721.00		NIST
Inp	1741.00		NIST
Inp	1690.00		NIST
Inp	1724.00		NIST
Inp	1754.20		NIST
Inp	1672.00		NIST
Inp	1719.00		NIST
Inp	Outlier 291.70		NIST
Inp	1719.00		NIST
Inp	1672.00		NIST
Inp	1754.20		NIST
Inp	Outlier 291.70		NIST
Inp	1741.00		NIST
I	[2245.00; 2315.00]
I	2245.00		NIST
I	2279.00		NIST
I	2313.00		NIST
I	2315.00		NIST
I	2257.00		NIST
I	2298.00		NIST
I	2245.00		NIST
I	2315.00		NIST
Tboil	620.71	K	Joback Calculated Property
Tc	863.72	K	Joback Calculated Property
Tfus	429.50	K	Joback Calculated Property
Vc	0.583	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[261.72; 294.95]	J/mol×K	[620.71; 863.72]
Cp,gas	261.72	J/mol×K	620.71	Joback Calculated Property
Cp,gas	268.27	J/mol×K	661.21	Joback Calculated Property
Cp,gas	274.43	J/mol×K	701.71	Joback Calculated Property
Cp,gas	280.19	J/mol×K	742.21	Joback Calculated Property
Cp,gas	285.54	J/mol×K	782.71	Joback Calculated Property
Cp,gas	290.46	J/mol×K	823.22	Joback Calculated Property
Cp,gas	294.95	J/mol×K	863.72	Joback Calculated Property
η	[0.0002057; 0.0007089]	Pa×s	[429.50; 620.71]
η	0.0007089	Pa×s	429.50	Joback Calculated Property
η	0.0005372	Pa×s	461.37	Joback Calculated Property
η	0.0004219	Pa×s	493.24	Joback Calculated Property
η	0.0003412	Pa×s	525.11	Joback Calculated Property
η	0.0002827	Pa×s	556.97	Joback Calculated Property
η	0.0002391	Pa×s	588.84	Joback Calculated Property
η	0.0002057	Pa×s	620.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to Anisole, 2,3,4,5,6-pentachloro-.

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.