Chemical Properties of Octane, 1-(1-methoxyethoxy)- (CAS 54789-26-3)

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

CAS

54789-26-3

Other Names

• Ethanal, methyl octyl acetal

• 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).
• 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
ΔfG°	-170.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-540.09	kJ/mol	Joback Calculated Property
ΔfusH°	23.10	kJ/mol	Joback Calculated Property
ΔvapH°	44.51	kJ/mol	Joback Calculated Property
log10WS	-3.21		Crippen 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	495.48	K	Joback Calculated Property
Tc	660.38	K	Joback Calculated Property
Tfus	243.19	K	Joback Calculated Property
Vc	0.681	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[416.01; 502.88]	J/mol×K	[495.48; 660.38]
Cp,gas	416.01	J/mol×K	495.48	Joback Calculated Property
Cp,gas	431.77	J/mol×K	522.96	Joback Calculated Property
Cp,gas	447.02	J/mol×K	550.45	Joback Calculated Property
Cp,gas	461.75	J/mol×K	577.93	Joback Calculated Property
Cp,gas	475.97	J/mol×K	605.41	Joback Calculated Property
Cp,gas	489.68	J/mol×K	632.90	Joback Calculated Property
Cp,gas	502.88	J/mol×K	660.38	Joback Calculated Property
η	[0.0001488; 0.0044998]	Pa×s	[243.19; 495.48]
η	0.0044998	Pa×s	243.19	Joback Calculated Property
η	0.0016771	Pa×s	285.24	Joback Calculated Property
η	0.0008055	Pa×s	327.29	Joback Calculated Property
η	0.0004572	Pa×s	369.34	Joback Calculated Property
η	0.0002913	Pa×s	411.38	Joback Calculated Property
η	0.0002018	Pa×s	453.43	Joback Calculated Property
η	0.0001488	Pa×s	495.48	Joback Calculated Property

Similar Compounds

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

Sources

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

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