Chemical Properties of Ethanal methyl nonyl acetal

InChI

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

InChI Key

KLZGMJZMJBGSMW-UHFFFAOYSA-N

Formula

C12H26O2

SMILES

CCCCCCCCCOC(C)OC

Molecular Weight¹

202.34

• 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_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	0.6191		Relay (1.0) Calculated Property
ΔfH°gas	-573.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.69	kJ/mol	Joback Calculated Property
ΔvapH°	62.56	kJ/mol	Relay (1.0) Calculated Property
IE	9.51	eV	Relay (1.0) Calculated Property
log10WS	-3.88		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	[1352.00; 1352.00]
Inp	1352.00		NIST
Inp	1352.00		NIST
Ip	[1621.00; 1621.00]
Ip	1621.00		NIST
Ip	1621.00		NIST
Tboil	490.24	K	Relay (1.0) Calculated Property
Tc	655.45	K	Relay (1.0) Calculated Property
Tfus	231.16	K	Relay (1.0) Calculated Property
Vc	0.749	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	[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 Ethanal methyl nonyl acetal.

Sources

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

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