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

• 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).
• 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
ω	0.3703		Relay (1.0) Calculated Property
PAff	816.70	kJ/mol	NIST
BasG	787.50	kJ/mol	NIST
ΔfG°	23.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-74.93	kJ/mol	Relay (1.0) 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	-1.19		Relay (1.0) 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	647.72	K	Relay (1.0) Calculated Property
Tfus	220.52 ± 0.40	K	NIST
Vc	0.375	m3/kmol	Relay (1.0) 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[133.34; 332.03]	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			-1.27890e+01
Coefficient B			6.21720e-01
Coefficient C			-3.31600e-04
Coefficient D			5.47000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	133.34	J/mol×K	273.00	Calculated Property
Cp,gas	168.08	J/mol×K	353.78	Calculated Property
Cp,gas	199.25	J/mol×K	434.56	Calculated Property
Cp,gas	227.03	J/mol×K	515.33	Calculated Property
Cp,gas	251.58	J/mol×K	596.11	Calculated Property
Cp,gas	273.08	J/mol×K	676.89	Calculated Property
Cp,gas	291.70	J/mol×K	757.67	Calculated Property
Cp,gas	307.62	J/mol×K	838.44	Calculated Property
Cp,gas	321.00	J/mol×K	919.22	Calculated Property
Cp,gas	332.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031206; 0.0001882]	Pa×s	[220.52; 448.14]	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			-1.12986e+01
Coefficient B			1.21923e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			220.52
Temperature range, max.			448.14
η	0.0031206	Pa×s	220.52	Calculated Property
η	0.0017668	Pa×s	245.81	Calculated Property
η	0.0011123	Pa×s	271.10	Calculated Property
η	0.0007578	Pa×s	296.39	Calculated Property
η	0.0005484	Pa×s	321.69	Calculated Property
η	0.0004160	Pa×s	346.98	Calculated Property
η	0.0003277	Pa×s	372.27	Calculated Property
η	0.0002660	Pa×s	397.56	Calculated Property
η	0.0002215	Pa×s	422.85	Calculated Property
η	0.0001882	Pa×s	448.14	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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