Chemical Properties of 1,2-Dimethoxy-4-chloro-benzene (CAS 16766-27-1)

InChI

InChI=1S/C8H9ClO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,1-2H3

InChI Key

RXJCXGJKJZARAW-UHFFFAOYSA-N

Formula

C8H9ClO2

SMILES

COc1ccc(Cl)cc1OC

Molecular Weight¹

172.61

CAS

16766-27-1

Other Names

• 4-Chloroveratrole
• 4-Chloro-1,2-dimethoxybenzene
• 4-Chloro-2-methoxyphenol, methyl ether
• Benzene, 4-chloro-1,2-dimethoxy

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	16.31	kJ/mol	Joback Calculated Property
ΔvapH°	67.03	kJ/mol	Relay (1.0) Calculated Property
IE	8.18	eV	Relay (1.0) Calculated Property
log10WS	-2.74		Relay (1.0) Calculated Property
logPoct/wat	2.357		Crippen Calculated Property
McVol	123.800	ml/mol	McGowan Calculated Property
Inp	[1300.00; 1335.30]
Inp	1307.00		NIST
Inp	1301.00		NIST
Inp	1300.00		NIST
Inp	1318.00		NIST
Inp	1307.00		NIST
Inp	Outlier 1335.30		NIST
Inp	1307.00		NIST
I	[1951.00; 1994.00]
I	1951.00		NIST
I	1959.00		NIST
I	1975.00		NIST
I	1994.00		NIST
I	1959.00		NIST
Tboil	511.08	K	Relay (1.0) Calculated Property
Tc	715.59	K	Relay (1.0) Calculated Property
Tfus	313.29	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[246.01; 304.22]	J/mol×K	[501.55; 717.15]
Cp,gas	246.01	J/mol×K	501.55	Joback Calculated Property
Cp,gas	256.86	J/mol×K	537.48	Joback Calculated Property
Cp,gas	267.27	J/mol×K	573.42	Joback Calculated Property
Cp,gas	277.22	J/mol×K	609.35	Joback Calculated Property
Cp,gas	286.71	J/mol×K	645.29	Joback Calculated Property
Cp,gas	295.71	J/mol×K	681.22	Joback Calculated Property
Cp,gas	304.22	J/mol×K	717.15	Joback Calculated Property
η	[0.0001781; 0.0010775]	Pa×s	[305.76; 501.55]
η	0.0010775	Pa×s	305.76	Joback Calculated Property
η	0.0006907	Pa×s	338.39	Joback Calculated Property
η	0.0004787	Pa×s	371.02	Joback Calculated Property
η	0.0003521	Pa×s	403.65	Joback Calculated Property
η	0.0002711	Pa×s	436.29	Joback Calculated Property
η	0.0002165	Pa×s	468.92	Joback Calculated Property
η	0.0001781	Pa×s	501.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Dimethoxy-4-chloro-benzene.

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