Chemical Properties of Benzene, 1-methoxy-2-methyl- (CAS 578-58-5)

InChI

InChI=1S/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3

InChI Key

DTFKRVXLBCAIOZ-UHFFFAOYSA-N

Formula

C8H10O

SMILES

COc1ccccc1C

Molecular Weight¹

122.16

CAS

578-58-5

Other Names

• 1-methoxy-2-methylbenzene
• 2-Methylmethoxybenzene
• 2-methoxymethylbenzene
• 2-methoxytoluene
• 2-methyl-1-methoxybenzene
• 2-methylanisole
• Methyl-o-cresol
• NSC 6253
• anisole, o-methyl-
• methyl 2-tolyl ether
• methyl o-cresyl ether
• methyl o-methylphenyl ether
• methyl o-tolyl ether
• o-Methylanisol
• o-cresol methyl ether
• o-cresyl methyl ether
• o-methoxytoluene
• o-methylanisole
• toluene, o-methoxy-

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• P_vap : Vapor 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
ω	0.3858		Relay (1.0) Calculated Property
PAff	850.00 ± 8.00	kJ/mol	NIST
BasG	818.00 ± 8.00	kJ/mol	NIST
ΔfG°	14.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-108.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.32	kJ/mol	Joback Calculated Property
ΔvapH°	50.87	kJ/mol	Relay (1.0) Calculated Property
IE	[7.90; 8.24]	eV
IE	7.90	eV	NIST
IE	8.03 ± 0.02	eV	NIST
IE	8.10 ± 0.15	eV	NIST
IE	8.24	eV	NIST
IE	8.24	eV	NIST
log10WS	-2.03		Relay (1.0) Calculated Property
logPoct/wat	2.004		Crippen Calculated Property
McVol	105.690	ml/mol	McGowan Calculated Property
Pc	3513.74	kPa	Joback Calculated Property
Inp	[983.00; 1032.00]
Inp	1005.00		NIST
Inp	1021.00		NIST
Inp	1007.00		NIST
Inp	1013.50		NIST
Inp	1013.00		NIST
Inp	1013.00		NIST
Inp	Outlier 1032.00		NIST
Inp	1009.00		NIST
Inp	1001.00		NIST
Inp	Outlier 983.00		NIST
Inp	Outlier 986.00		NIST
Inp	1005.00		NIST
Inp	1009.00		NIST
Inp	1005.00		NIST
Inp	1000.00		NIST
Inp	1005.00		NIST
Inp	1005.00		NIST
Inp	1009.00		NIST
Inp	1013.00		NIST
Inp	1013.50		NIST
I	[1390.00; 1432.00]
I	1409.00		NIST
I	1390.00		NIST
I	1432.00		NIST
I	1424.00		NIST
I	1409.00		NIST
I	1432.00		NIST
Tboil	[444.20; 557.35]	K
Tboil	444.20	K	NIST
Tboil	445.00 ± 0.50	K	NIST
Tboil	444.88 ± 0.30	K	NIST
Tboil	557.35 ± 1.00	K	NIST
Tc	662.00 ± 0.60	K	NIST
Tfus	[238.97; 239.05]	K
Tfus	239.05 ± 0.50	K	NIST
Tfus	238.97 ± 0.30	K	NIST
Vc	0.383	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[199.01; 262.44]	J/mol×K	[436.52; 646.36]
Cp,gas	199.01	J/mol×K	436.52	Joback Calculated Property
Cp,gas	210.91	J/mol×K	471.49	Joback Calculated Property
Cp,gas	222.27	J/mol×K	506.47	Joback Calculated Property
Cp,gas	233.10	J/mol×K	541.44	Joback Calculated Property
Cp,gas	243.40	J/mol×K	576.41	Joback Calculated Property
Cp,gas	253.17	J/mol×K	611.38	Joback Calculated Property
Cp,gas	262.44	J/mol×K	646.36	Joback Calculated Property
η	[0.0001977; 0.0017292]	Pa×s	[241.09; 436.52]
η	0.0017292	Pa×s	241.09	Joback Calculated Property
η	0.0009715	Pa×s	273.66	Joback Calculated Property
η	0.0006170	Pa×s	306.23	Joback Calculated Property
η	0.0004276	Pa×s	338.81	Joback Calculated Property
η	0.0003160	Pa×s	371.38	Joback Calculated Property
η	0.0002453	Pa×s	403.95	Joback Calculated Property
η	0.0001977	Pa×s	436.52	Joback Calculated Property
Pvap	[0.04; 0.35]	kPa	[275.80; 308.00]
Pvap	0.04	kPa	275.80	Benchmark thermodynamic properties of methylanisoles: Experimental and theoretical study
Pvap	0.04	kPa	277.70	Benchmark thermodynamic properties of methylanisoles: Experimental and theoretical study
Pvap	0.04	kPa	278.70	Benchmark thermodynamic properties of methylanisoles: Experimental and theoretical study
Pvap	0.05	kPa	280.60	Benchmark thermodynamic properties of methylanisoles: Experimental and theoretical study
Pvap	0.06	kPa	282.60	Benchmark thermodynamic properties of methylanisoles: Experimental and theoretical study
Pvap	0.07	kPa	285.70	Benchmark thermodynamic properties of methylanisoles: Experimental and theoretical study
Pvap	0.08	kPa	286.80	Benchmark thermodynamic properties of methylanisoles: Experimental and theoretical study
Pvap	0.10	kPa	290.20	Benchmark thermodynamic properties of methylanisoles: Experimental and theoretical study
Pvap	0.13	kPa	293.40	Benchmark thermodynamic properties of methylanisoles: Experimental and theoretical study
Pvap	0.16	kPa	296.20	Benchmark thermodynamic properties of methylanisoles: Experimental and theoretical study
Pvap	0.18	kPa	298.20	Benchmark thermodynamic properties of methylanisoles: Experimental and theoretical study
Pvap	0.21	kPa	300.20	Benchmark thermodynamic properties of methylanisoles: Experimental and theoretical study
Pvap	0.21	kPa	300.20	Benchmark thermodynamic properties of methylanisoles: Experimental and theoretical study
Pvap	0.26	kPa	303.30	Benchmark thermodynamic properties of methylanisoles: Experimental and theoretical study
Pvap	0.29	kPa	305.10	Benchmark thermodynamic properties of methylanisoles: Experimental and theoretical study
Pvap	0.35	kPa	308.00	Benchmark thermodynamic properties of methylanisoles: Experimental and theoretical study

Similar Compounds

Find more compounds similar to Benzene, 1-methoxy-2-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Benchmark thermodynamic properties of methylanisoles: Experimental and theoretical study
• Joback Method
• McGowan Method
• NIST Webbook

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