Chemical Properties of Butane, 1,1-diethoxy-3-methyl- (CAS 3842-03-3)

InChI

InChI=1S/C9H20O2/c1-5-10-9(11-6-2)7-8(3)4/h8-9H,5-7H2,1-4H3

InChI Key

DDGBOLJFAMEBOE-UHFFFAOYSA-N

Formula

C9H20O2

SMILES

CCOC(CC(C)C)OCC

Molecular Weight¹

160.25

CAS

3842-03-3

Other Names

• Isovaleraldehyde, diethyl acetal
• 1,1-Diethoxy-3-methylbutane
• 3-Methylbutanal, diethyl acetal
• isopentanal diethyl acetal
• 1,1-diethoxy-3-methyl butane (isovaleraldehyde 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 : 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	0.4519		Relay (... Calculated Property
ΔfG°	-189.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-525.75	kJ/mol	Relay (... Calculated Property
ΔfusH°	14.40	kJ/mol	Joback Calculated Property
ΔvapH°	47.62	kJ/mol	Relay (... Calculated Property
IE	9.47	eV	Relay (... Calculated Property
log10WS	-1.93		Relay (... Calculated Property
logPoct/wat	2.432		Crippen Calculated Property
McVol	149.410	ml/mol	McGowan Calculated Property
Pc	2267.57	kPa	Joback Calculated Property
Inp	[930.00; 960.00]
Inp	955.00		NIST
Inp	955.00		NIST
Inp	958.00		NIST
Inp	955.00		NIST
Inp	952.00		NIST
Inp	954.00		NIST
Inp	955.00		NIST
Inp	Outlier 930.00		NIST
Inp	960.00		NIST
Inp	959.00		NIST
Inp	955.00		NIST
I	[1058.00; 1079.00]
I	1062.00		NIST
I	1062.00		NIST
I	1068.00		NIST
I	1068.00		NIST
I	1074.00		NIST
I	1073.00		NIST
I	1058.00		NIST
I	Outlier 1079.00		NIST
I	1061.00		NIST
I	1065.00		NIST
I	1062.00		NIST
Tboil	423.68	K	Relay (... Calculated Property
Tc	580.42	K	Relay (... Calculated Property
Tfus	175.46	K	Relay (... Calculated Property
Vc	0.553	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[324.90; 403.99]	J/mol×K	[449.28; 619.70]
Cp,gas	324.90	J/mol×K	449.28	Joback Calculated Property
Cp,gas	339.18	J/mol×K	477.68	Joback Calculated Property
Cp,gas	353.03	J/mol×K	506.09	Joback Calculated Property
Cp,gas	366.43	J/mol×K	534.49	Joback Calculated Property
Cp,gas	379.40	J/mol×K	562.89	Joback Calculated Property
Cp,gas	391.92	J/mol×K	591.30	Joback Calculated Property
Cp,gas	403.99	J/mol×K	619.70	Joback Calculated Property
η	[0.0001654; 0.0081421]	Pa×s	[205.65; 449.28]
η	0.0081421	Pa×s	205.65	Joback Calculated Property
η	0.0024899	Pa×s	246.25	Joback Calculated Property
η	0.0010648	Pa×s	286.86	Joback Calculated Property
η	0.0005622	Pa×s	327.47	Joback Calculated Property
η	0.0003417	Pa×s	368.07	Joback Calculated Property
η	0.0002293	Pa×s	408.67	Joback Calculated Property
η	0.0001654	Pa×s	449.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butane, 1,1-diethoxy-3-methyl-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.