Chemical Properties of «alpha»,«alpha»-Dimethoxy-m-xylene

InChI

InChI=1S/C10H14O2/c1-11-7-9-4-3-5-10(6-9)8-12-2/h3-6H,7-8H2,1-2H3

InChI Key

BPJINPBZQICULW-UHFFFAOYSA-N

Formula

C10H14O2

SMILES

COCc1cccc(COC)c1

Molecular Weight¹

166.22

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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.
• 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	0.5152		Relay (1.0) Calculated Property
ΔfH°gas	-247.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.68	kJ/mol	Joback Calculated Property
ΔvapH°	63.44	kJ/mol	Relay (1.0) Calculated Property
IE	8.58	eV	Relay (1.0) Calculated Property
logPoct/wat	1.979		Crippen Calculated Property
McVol	139.740	ml/mol	McGowan Calculated Property
Pc	2781.78	kPa	Joback Calculated Property
Inp	[1409.00; 1409.00]
Inp	1409.00		NIST
Inp	1409.00		NIST
Tboil	492.55	K	Relay (1.0) Calculated Property
Tc	703.31	K	Relay (1.0) Calculated Property
Tfus	257.48	K	Relay (1.0) Calculated Property
Vc	0.515	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[193.72; 450.67]	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			2.51920e+01
Coefficient B			6.89040e-01
Coefficient C			-2.62360e-04
Coefficient D			-1.20000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	193.72	J/mol×K	273.00	Calculated Property
Cp,gas	236.07	J/mol×K	353.78	Calculated Property
Cp,gas	274.98	J/mol×K	434.56	Calculated Property
Cp,gas	310.44	J/mol×K	515.33	Calculated Property
Cp,gas	342.45	J/mol×K	596.11	Calculated Property
Cp,gas	371.02	J/mol×K	676.89	Calculated Property
Cp,gas	396.12	J/mol×K	757.67	Calculated Property
Cp,gas	417.77	J/mol×K	838.44	Calculated Property
Cp,gas	435.95	J/mol×K	919.22	Calculated Property
Cp,gas	450.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014900; 0.0001672]	Pa×s	[285.86; 495.39]	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			-1.16807e+01
Coefficient B			1.47838e+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.			285.86
Temperature range, max.			495.39
η	0.0014900	Pa×s	285.86	Calculated Property
η	0.0010093	Pa×s	309.14	Calculated Property
η	0.0007221	Pa×s	332.42	Calculated Property
η	0.0005397	Pa×s	355.70	Calculated Property
η	0.0004181	Pa×s	378.98	Calculated Property
η	0.0003336	Pa×s	402.26	Calculated Property
η	0.0002728	Pa×s	425.54	Calculated Property
η	0.0002279	Pa×s	448.82	Calculated Property
η	0.0001937	Pa×s	472.11	Calculated Property
η	0.0001672	Pa×s	495.39	Calculated Property

Similar Compounds

Find more compounds similar to «alpha»,«alpha»-Dimethoxy-m-xylene.

Sources

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

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