Chemical Properties of Benzene, 1-chloro-3-methoxy- (CAS 2845-89-8)

InChI

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

InChI Key

YUKILTJWFRTXGB-UHFFFAOYSA-N

Formula

C7H7ClO

SMILES

COc1cccc(Cl)c1

Molecular Weight¹

142.58

CAS

2845-89-8

Other Names

• 1-Chloro-3-methoxybenzene
• 3-Chloroanisole
• Anisole, m-chloro-
• m-Chloroanisole
• m-Chlorophenyl methyl ether
• meta-Chloroanisole

• 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).
• 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 : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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°	-6.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-110.71	kJ/mol	Joback Calculated Property
ΔfusH°	12.92	kJ/mol	Joback Calculated Property
ΔvapH°	53.60 ± 0.80	kJ/mol	NIST
IE	8.70 ± 0.10	eV	NIST
log10WS	[-2.78; -2.78]
log10WS	-2.78		Aq. Sol...
log10WS	-2.78		Estimat...
logPoct/wat	2.349		Crippen Calculated Property
McVol	103.840	ml/mol	McGowan Calculated Property
Pc	3773.04	kPa	Joback Calculated Property
Inp	[1068.00; 1126.00]
Inp	1080.00		NIST
Inp	1085.00		NIST
Inp	1092.00		NIST
Inp	Outlier 1126.00		NIST
Inp	1084.00		NIST
Inp	1072.00		NIST
Inp	1081.00		NIST
Inp	1110.80		NIST
Inp	1068.00		NIST
Inp	1084.00		NIST
I	[1582.00; 1628.00]
I	1623.00		NIST
I	1628.00		NIST
I	1618.00		NIST
I	1604.00		NIST
I	1582.00		NIST
I	1588.00		NIST
Tboil	466.70	K	NIST
Tc	670.60	K	Joback Calculated Property
Tfus	259.74	K	Joback Calculated Property
Vc	0.387	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[184.68; 237.62]	J/mol×K	[451.07; 670.60]
Cp,gas	184.68	J/mol×K	451.07	Joback Calculated Property
Cp,gas	194.76	J/mol×K	487.66	Joback Calculated Property
Cp,gas	204.32	J/mol×K	524.25	Joback Calculated Property
Cp,gas	213.38	J/mol×K	560.84	Joback Calculated Property
Cp,gas	221.95	J/mol×K	597.42	Joback Calculated Property
Cp,gas	230.02	J/mol×K	634.01	Joback Calculated Property
Cp,gas	237.62	J/mol×K	670.60	Joback Calculated Property
η	[0.0002283; 0.0017445]	Pa×s	[259.74; 451.07]
η	0.0017445	Pa×s	259.74	Joback Calculated Property
η	0.0010328	Pa×s	291.63	Joback Calculated Property
η	0.0006780	Pa×s	323.52	Joback Calculated Property
η	0.0004800	Pa×s	355.41	Joback Calculated Property
η	0.0003597	Pa×s	387.29	Joback Calculated Property
η	0.0002817	Pa×s	419.18	Joback Calculated Property
η	0.0002283	Pa×s	451.07	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Benzene, 1-chloro-3-methoxy-.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility 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.