Chemical Properties of Benzene, (methoxymethyl)- (CAS 538-86-3)

InChI

InChI=1S/C8H10O/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3

InChI Key

GQKZBCPTCWJTAS-UHFFFAOYSA-N

Formula

C8H10O

SMILES

COCc1ccccc1

Molecular Weight¹

122.16

CAS

538-86-3

Other Names

• Ether, benzyl methyl
• «alpha»-Methoxytoluene
• Benzyl methyl ether
• Methyl benzyl ether
• Methoxymethylbenzene
• «alpha»-Methylbenzyl ether

• 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).
• 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
PAff	816.70	kJ/mol	NIST
BasG	787.50	kJ/mol	NIST
ΔfG°	23.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-104.14	kJ/mol	Joback Calculated Property
ΔfusH°	11.70	kJ/mol	Joback Calculated Property
ΔvapH°	51.40 ± 0.30	kJ/mol	NIST
IE	[8.76; 9.12]	eV
IE	8.76	eV	NIST
IE	8.83 ± 0.05	eV	NIST
IE	8.85 ± 0.03	eV	NIST
IE	9.07	eV	NIST
IE	9.12	eV	NIST
log10WS	-1.86		Crippen Calculated Property
logPoct/wat	1.833		Crippen Calculated Property
McVol	105.690	ml/mol	McGowan Calculated Property
Pc	3577.07	kPa	Joback Calculated Property
Inp	[966.10; 984.00]
Inp	966.10		NIST
Inp	984.00		NIST
Inp	981.00		NIST
Inp	973.00		NIST
Inp	973.00		NIST
Inp	984.00		NIST
I	[1377.00; 1400.00]
I	1400.00		NIST
I	1377.00		NIST
I	1396.00		NIST
I	1391.00		NIST
I	1377.00		NIST
Tboil	[440.95; 447.00]	K
Tboil	447.00	K	NIST
Tboil	443.70 ± 0.60	K	NIST
Tboil	440.95 ± 0.40	K	NIST
Tboil	443.65 ± 0.50	K	NIST
Tc	639.91	K	Joback Calculated Property
Tfus	220.52 ± 0.40	K	NIST
Vc	0.394	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[198.15; 263.60]	J/mol×K	[431.54; 639.91]
Cp,gas	198.15	J/mol×K	431.54	Joback Calculated Property
Cp,gas	210.55	J/mol×K	466.27	Joback Calculated Property
Cp,gas	222.34	J/mol×K	501.00	Joback Calculated Property
Cp,gas	233.52	J/mol×K	535.73	Joback Calculated Property
Cp,gas	244.12	J/mol×K	570.45	Joback Calculated Property
Cp,gas	254.14	J/mol×K	605.18	Joback Calculated Property
Cp,gas	263.60	J/mol×K	639.91	Joback Calculated Property
η	[0.0002090; 0.0025685]	Pa×s	[228.57; 431.54]
η	0.0025685	Pa×s	228.57	Joback Calculated Property
η	0.0012913	Pa×s	262.40	Joback Calculated Property
η	0.0007596	Pa×s	296.23	Joback Calculated Property
η	0.0004982	Pa×s	330.06	Joback Calculated Property
η	0.0003534	Pa×s	363.88	Joback Calculated Property
η	0.0002657	Pa×s	397.71	Joback Calculated Property
η	0.0002090	Pa×s	431.54	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[339.00; 348.50]	K	[2.00; 4.00]
Tboilr	339.00 ± 4.00	K	2.00	NIST
Tboilr	348.50 ± 1.50	K	4.00	NIST

Similar Compounds

Find more compounds similar to Benzene, (methoxymethyl)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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