Chemical Properties of Benzene, 1-chloro-4-methoxy- (CAS 623-12-1)

InChI

InChI=1S/C7H7ClO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3

InChI Key

YRGAYAGBVIXNAQ-UHFFFAOYSA-N

Formula

C7H7ClO

SMILES

COc1ccc(Cl)cc1

Molecular Weight¹

142.58

CAS

623-12-1

Other Names

• 1-Chloro-4-methoxybenzene
• 1-Methoxy-4-chlorobenzene
• 4-Chloroanisole
• 4-Chlorophenol methyl ether
• 4-chloromethoxybenzene
• Anisyl chloride
• NSC 4129
• anisole, p-chloro-
• p-Chloromethoxybenzene
• p-Chlorophenyl methyl ether
• p-Methoxychlorobenzene
• p-chloroanisol
• p-chloroanisole
• para-Chloroanisole

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I_p : 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
ΔfH°gas	-108.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.92	kJ/mol	Joback Calculated Property
ΔvapH°	54.80 ± 0.80	kJ/mol	NIST
IE	[7.79; 8.50]	eV
IE	8.25 ± 0.03	eV	NIST
IE	7.79	eV	NIST
IE	8.18	eV	NIST
IE	8.50 ± 0.10	eV	NIST
IE	8.25 ± 0.15	eV	NIST
log10WS	[-2.78; -2.78]
log10WS	-2.78		Aq. Solubility Prediction
log10WS	-2.78		Estimated Solubility
logPoct/wat	2.349		Crippen Calculated Property
McVol	103.840	ml/mol	McGowan Calculated Property
Pc	3773.04	kPa	Joback Calculated Property
Inp	[1077.00; 1131.70]
Inp	1120.00		NIST
Inp	1120.00		NIST
Inp	1090.00		NIST
Inp	1094.00		NIST
Inp	1108.00		NIST
Inp	1131.70		NIST
Inp	1079.50		NIST
Inp	1093.00		NIST
Inp	1082.00		NIST
Inp	1090.00		NIST
Inp	1123.50		NIST
Inp	1077.00		NIST
Inp	1131.70		NIST
Ip	[1592.00; 1656.00]
Ip	1592.00		NIST
Ip	1592.00		NIST
Ip	1648.00		NIST
Ip	1656.00		NIST
Ip	1645.00		NIST
Ip	1630.00		NIST
Ip	1607.00		NIST
Ip	1613.00		NIST
Ip	1630.00		NIST
Tboil	473.20	K	NIST
Tc	680.09	K	Relay (1.0) Calculated Property
Tfus	255.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[128.08; 285.67]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.53100e+01
Coefficient B			4.74020e-01
Coefficient C			-2.30560e-04
Coefficient D			2.69000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	128.08	J/mol×K	273.00	Calculated Property
Cp,gas	155.34	J/mol×K	353.78	Calculated Property
Cp,gas	179.97	J/mol×K	434.56	Calculated Property
Cp,gas	202.04	J/mol×K	515.33	Calculated Property
Cp,gas	221.65	J/mol×K	596.11	Calculated Property
Cp,gas	238.87	J/mol×K	676.89	Calculated Property
Cp,gas	253.80	J/mol×K	757.67	Calculated Property
Cp,gas	266.52	J/mol×K	838.44	Calculated Property
Cp,gas	277.12	J/mol×K	919.22	Calculated Property
Cp,gas	285.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019016; 0.0002047]	Pa×s	[255.15; 469.63]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.11451e+01
Coefficient B			1.24513e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			255.15
Temperature range, max.			469.63
η	0.0019016	Pa×s	255.15	Calculated Property
η	0.0012534	Pa×s	278.98	Calculated Property
η	0.0008821	Pa×s	302.81	Calculated Property
η	0.0006535	Pa×s	326.64	Calculated Property
η	0.0005043	Pa×s	350.47	Calculated Property
η	0.0004022	Pa×s	374.31	Calculated Property
η	0.0003296	Pa×s	398.14	Calculated Property
η	0.0002762	Pa×s	421.97	Calculated Property
η	0.0002359	Pa×s	445.80	Calculated Property
η	0.0002047	Pa×s	469.63	Calculated Property

Similar Compounds

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

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Standard molar enthalpies of formation of the three isomers of chloroanisole
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.