Chemical Properties of Propane, 1,1-dimethoxy-2-methyl- (CAS 41632-89-7)

InChI

InChI=1S/C6H14O2/c1-5(2)6(7-3)8-4/h5-6H,1-4H3

InChI Key

YINGOXPFQFTXIX-UHFFFAOYSA-N

Formula

C6H14O2

SMILES

COC(OC)C(C)C

Molecular Weight¹

118.17

CAS

41632-89-7

Other Names

• Isobutylaldehyde dimethyl acetal
• Isobutyraldehyde dimethylacetal
• 1,1-Dimethoxy-2-methylpropane
• Propane, 2-methyl, 1,1-dimethoxy
• Isobutanal, dimethylacetal

• 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.
• 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	0.3472		Relay (1.0) Calculated Property
ΔfG°	-215.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-425.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	6.63	kJ/mol	Joback Calculated Property
ΔvapH°	39.86	kJ/mol	Relay (1.0) Calculated Property
IE	9.48	eV	Relay (1.0) Calculated Property
log10WS	-0.80		Relay (1.0) Calculated Property
logPoct/wat	1.261		Crippen Calculated Property
McVol	107.140	ml/mol	McGowan Calculated Property
Pc	3045.68	kPa	Joback Calculated Property
Inp	[691.00; 733.00]
Inp	701.00		NIST
Inp	691.00		NIST
Inp	733.00		NIST
Inp	701.00		NIST
Inp	733.00		NIST
Tboil	383.10	K	Relay (1.0) Calculated Property
Tc	549.25	K	Relay (1.0) Calculated Property
Tfus	184.10 ± 0.60	K	NIST

Cheméo can also estimate Critical Volume 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	[162.94; 366.95]	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			4.50700e+01
Coefficient B			4.59280e-01
Coefficient C			-8.70000e-05
Coefficient D			-5.04000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	162.94	J/mol×K	273.00	Calculated Property
Cp,gas	194.43	J/mol×K	353.78	Calculated Property
Cp,gas	224.09	J/mol×K	434.56	Calculated Property
Cp,gas	251.75	J/mol×K	515.33	Calculated Property
Cp,gas	277.26	J/mol×K	596.11	Calculated Property
Cp,gas	300.46	J/mol×K	676.89	Calculated Property
Cp,gas	321.19	J/mol×K	757.67	Calculated Property
Cp,gas	339.28	J/mol×K	838.44	Calculated Property
Cp,gas	354.59	J/mol×K	919.22	Calculated Property
Cp,gas	366.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0054530; 0.0001801]	Pa×s	[184.10; 387.81]	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			-1.17038e+01
Coefficient B			1.19522e+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.			184.10
Temperature range, max.			387.81
η	0.0054530	Pa×s	184.10	Calculated Property
η	0.0026788	Pa×s	206.73	Calculated Property
η	0.0015141	Pa×s	229.37	Calculated Property
η	0.0009482	Pa×s	252.00	Calculated Property
η	0.0006414	Pa×s	274.64	Calculated Property
η	0.0004605	Pa×s	297.27	Calculated Property
η	0.0003465	Pa×s	319.91	Calculated Property
η	0.0002707	Pa×s	342.54	Calculated Property
η	0.0002180	Pa×s	365.17	Calculated Property
η	0.0001801	Pa×s	387.81	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 1,1-dimethoxy-2-methyl-.

Sources

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

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