Chemical Properties of Propane, 1,1-diethoxy-2-methyl- (CAS 1741-41-9)

InChI

InChI=1S/C8H18O2/c1-5-9-8(7(3)4)10-6-2/h7-8H,5-6H2,1-4H3

InChI Key

KZDFOVZPOBSHDH-UHFFFAOYSA-N

Formula

C8H18O2

SMILES

CCOC(OCC)C(C)C

Molecular Weight¹

146.23

CAS

1741-41-9

Other Names

• Isobutyraldehyde, diethyl acetal
• Isobutanal diethyl acetal
• Isobutylaldehyde diethyl acetal
• 1,1-Diethoxy-2-methylpropane
• 1,1-Diethoxyisobutane

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-500.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.81	kJ/mol	Joback Calculated Property
ΔvapH°	46.68	kJ/mol	Relay (1.0) Calculated Property
IE	9.50	eV	Relay (1.0) Calculated Property
log10WS	-1.54		Relay (1.0) Calculated Property
logPoct/wat	2.042		Crippen Calculated Property
McVol	135.320	ml/mol	McGowan Calculated Property
Pc	2490.03	kPa	Joback Calculated Property
Inp	[830.00; 865.00]
Inp	850.00		NIST
Inp	859.00		NIST
Inp	859.00		NIST
Inp	859.00		NIST
Inp	859.00		NIST
Inp	858.00		NIST
Inp	859.00		NIST
Inp	Outlier 830.00		NIST
Inp	865.00		NIST
Inp	858.00		NIST
Ip	[962.00; 1000.00]
Ip	962.00		NIST
Ip	969.00		NIST
Ip	969.00		NIST
Ip	970.00		NIST
Ip	976.00		NIST
Ip	977.00		NIST
Ip	977.00		NIST
Ip	Outlier 1000.00		NIST
Tboil	411.00 ± 4.00	K	NIST
Tc	572.12	K	Relay (1.0) Calculated Property
Tfus	186.48	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[205.37; 470.13]	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			4.32520e+01
Coefficient B			6.49280e-01
Coefficient C			-1.95800e-04
Coefficient D			-2.66000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	205.37	J/mol×K	273.00	Calculated Property
Cp,gas	247.27	J/mol×K	353.78	Calculated Property
Cp,gas	286.24	J/mol×K	434.56	Calculated Property
Cp,gas	322.21	J/mol×K	515.33	Calculated Property
Cp,gas	355.08	J/mol×K	596.11	Calculated Property
Cp,gas	384.78	J/mol×K	676.89	Calculated Property
Cp,gas	411.22	J/mol×K	757.67	Calculated Property
Cp,gas	434.31	J/mol×K	838.44	Calculated Property
Cp,gas	453.98	J/mol×K	919.22	Calculated Property
Cp,gas	470.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0084710; 0.0001870]	Pa×s	[194.38; 418.71]	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			-1.18888e+01
Coefficient B			1.38354e+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.			194.38
Temperature range, max.			418.71
η	0.0084710	Pa×s	194.38	Calculated Property
η	0.0037722	Pa×s	219.31	Calculated Property
η	0.0019814	Pa×s	244.23	Calculated Property
η	0.0011726	Pa×s	269.16	Calculated Property
η	0.0007585	Pa×s	294.08	Calculated Property
η	0.0005252	Pa×s	319.01	Calculated Property
η	0.0003835	Pa×s	343.93	Calculated Property
η	0.0002922	Pa×s	368.86	Calculated Property
η	0.0002305	Pa×s	393.79	Calculated Property
η	0.0001870	Pa×s	418.71	Calculated Property

Similar Compounds

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

Sources

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

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