Chemical Properties of Octane, 1-(1-methoxyethoxy)-

InChI

InChI=1S/C11H24O2/c1-4-5-6-7-8-9-10-13-11(2)12-3/h11H,4-10H2,1-3H3

InChI Key

RGHNITKXFLTYCG-UHFFFAOYSA-N

Formula

C11H24O2

SMILES

CCCCCCCCOC(C)OC

Molecular Weight¹

188.31

Other Names

• Ethanal, methyl octyl acetal

• 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).
• 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	0.5825		Relay (1.0) Calculated Property
ΔfH°gas	-552.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.10	kJ/mol	Joback Calculated Property
ΔvapH°	57.76	kJ/mol	Relay (1.0) Calculated Property
IE	9.49	eV	Relay (1.0) Calculated Property
log10WS	-3.34		Relay (1.0) Calculated Property
logPoct/wat	3.356		Crippen Calculated Property
McVol	177.590	ml/mol	McGowan Calculated Property
Pc	1890.36	kPa	Joback Calculated Property
Inp	[1254.00; 1254.00]
Inp	1254.00		NIST
Inp	1254.00		NIST
I	[1521.00; 1521.00]
I	1521.00		NIST
I	1521.00		NIST
Tboil	472.23	K	Relay (1.0) Calculated Property
Tc	639.49	K	Relay (1.0) Calculated Property
Tfus	221.83	K	Relay (1.0) Calculated Property
Vc	0.693	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[269.33; 624.37]	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			4.22070e+01
Coefficient B			9.28360e-01
Coefficient C			-3.55800e-04
Coefficient D			9.60000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	269.33	J/mol×K	273.00	Calculated Property
Cp,gas	326.53	J/mol×K	353.78	Calculated Property
Cp,gas	379.23	J/mol×K	434.56	Calculated Property
Cp,gas	427.45	J/mol×K	515.33	Calculated Property
Cp,gas	471.21	J/mol×K	596.11	Calculated Property
Cp,gas	510.56	J/mol×K	676.89	Calculated Property
Cp,gas	545.52	J/mol×K	757.67	Calculated Property
Cp,gas	576.12	J/mol×K	838.44	Calculated Property
Cp,gas	602.39	J/mol×K	919.22	Calculated Property
Cp,gas	624.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0044998; 0.0001882]	Pa×s	[243.19; 462.45]	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			-1.20989e+01
Coefficient B			1.62820e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			243.19
Temperature range, max.			462.45
η	0.0044998	Pa×s	243.19	Calculated Property
η	0.0024458	Pa×s	267.55	Calculated Property
η	0.0014718	Pa×s	291.92	Calculated Property
η	0.0009578	Pa×s	316.28	Calculated Property
η	0.0006628	Pa×s	340.64	Calculated Property
η	0.0004817	Pa×s	365.00	Calculated Property
η	0.0003644	Pa×s	389.37	Calculated Property
η	0.0002849	Pa×s	413.73	Calculated Property
η	0.0002289	Pa×s	438.09	Calculated Property
η	0.0001882	Pa×s	462.45	Calculated Property

Similar Compounds

Find more compounds similar to Octane, 1-(1-methoxyethoxy)-.

Sources

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

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