Chemical Properties of Octane, 1,1-diethoxy- (CAS 54889-48-4)

InChI

InChI=1S/C12H26O2/c1-4-7-8-9-10-11-12(13-5-2)14-6-3/h12H,4-11H2,1-3H3

InChI Key

BRKIPAWFUDCCOO-UHFFFAOYSA-N

Formula

C12H26O2

SMILES

CCCCCCCC(OCC)OCC

Molecular Weight¹

202.33

CAS

54889-48-4

Other Names

• Octanal diethyl acetal
• 1,1-Diethoxyoctane
• n-Octanal diethyl acetal

• ω : Acentric Factor.
• 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_p : 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	0.6045		Relay (1.0) Calculated Property
ΔfG°	-162.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-577.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.69	kJ/mol	Joback Calculated Property
ΔvapH°	63.05	kJ/mol	Relay (1.0) Calculated Property
IE	9.36	eV	Relay (1.0) Calculated Property
log10WS	-3.55		Relay (1.0) Calculated Property
logPoct/wat	3.746		Crippen Calculated Property
McVol	191.680	ml/mol	McGowan Calculated Property
Pc	1741.91	kPa	Joback Calculated Property
Inp	[1270.00; 1276.00]
Inp	1270.00		NIST
Inp	1276.00		NIST
Inp	1270.00		NIST
Ip	[1417.00; 1431.00]
Ip	1431.00		NIST
Ip	1417.00		NIST
Tboil	488.46	K	Relay (1.0) Calculated Property
Tc	647.62	K	Relay (1.0) Calculated Property
Tfus	208.57	K	Relay (1.0) Calculated Property
Vc	0.738	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[290.54; 675.96]	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			4.12980e+01
Coefficient B			1.02336e+00
Coefficient C			-4.10200e-04
Coefficient D			2.15000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	290.54	J/mol×K	273.00	Calculated Property
Cp,gas	352.95	J/mol×K	353.78	Calculated Property
Cp,gas	410.31	J/mol×K	434.56	Calculated Property
Cp,gas	462.68	J/mol×K	515.33	Calculated Property
Cp,gas	510.12	J/mol×K	596.11	Calculated Property
Cp,gas	552.72	J/mol×K	676.89	Calculated Property
Cp,gas	590.54	J/mol×K	757.67	Calculated Property
Cp,gas	623.63	J/mol×K	838.44	Calculated Property
Cp,gas	652.09	J/mol×K	919.22	Calculated Property
Cp,gas	675.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0042647; 0.0001802]	Pa×s	[254.46; 477.82]	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			-1.22261e+01
Coefficient B			1.72236e+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.			254.46
Temperature range, max.			477.82
η	0.0042647	Pa×s	254.46	Calculated Property
η	0.0023371	Pa×s	279.28	Calculated Property
η	0.0014128	Pa×s	304.10	Calculated Property
η	0.0009215	Pa×s	328.91	Calculated Property
η	0.0006382	Pa×s	353.73	Calculated Property
η	0.0004638	Pa×s	378.55	Calculated Property
η	0.0003505	Pa×s	403.37	Calculated Property
η	0.0002737	Pa×s	428.18	Calculated Property
η	0.0002195	Pa×s	453.00	Calculated Property
η	0.0001802	Pa×s	477.82	Calculated Property

Similar Compounds

Find more compounds similar to Octane, 1,1-diethoxy-.

Sources

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

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