Chemical Properties of m-Diethoxybenzene

InChI

InChI=1S/C10H14O2/c1-3-11-9-6-5-7-10(8-9)12-4-2/h5-8H,3-4H2,1-2H3

InChI Key

MKGFYMKFBCWNCP-UHFFFAOYSA-N

Formula

C10H14O2

SMILES

CCOc1cccc(OCC)c1

Molecular Weight¹

166.22

Other Names

• 1,3-Diethoxybenzene
• Benzene, 1,3-diethoxy-

• 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).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5343		Relay (1.0) Calculated Property
ΔfH°gas	-311.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.68	kJ/mol	Joback Calculated Property
ΔvapH°	63.79	kJ/mol	Relay (1.0) Calculated Property
IE	8.17	eV	Relay (1.0) Calculated Property
log10WS	-3.16		Relay (1.0) Calculated Property
logPoct/wat	2.484		Crippen Calculated Property
McVol	139.740	ml/mol	McGowan Calculated Property
Pc	2781.78	kPa	Joback Calculated Property
Tboil	508.00	K	NIST
Tc	694.23	K	Relay (1.0) Calculated Property
Tfus	[284.85; 285.50]	K
Tfus	284.85	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	285.50	K	NIST

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[0.0015086; 0.0001672]	Pa×s	[285.18; 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.			285.18
Temperature range, max.			495.39
η	0.0015086	Pa×s	285.18	Calculated Property
η	0.0010189	Pa×s	308.53	Calculated Property
η	0.0007273	Pa×s	331.89	Calculated Property
η	0.0005426	Pa×s	355.25	Calculated Property
η	0.0004198	Pa×s	378.60	Calculated Property
η	0.0003345	Pa×s	401.96	Calculated Property
η	0.0002734	Pa×s	425.32	Calculated Property
η	0.0002281	Pa×s	448.67	Calculated Property
η	0.0001938	Pa×s	472.03	Calculated Property
η	0.0001672	Pa×s	495.39	Calculated Property

Similar Compounds

Find more compounds similar to m-Diethoxybenzene.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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