Chemical Properties of Butane, 1,1-dibutoxy- (CAS 5921-80-2)

InChI

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

InChI Key

WQRBJFZKPWPIJD-UHFFFAOYSA-N

Formula

C12H26O2

SMILES

CCCCOC(CCC)OCCCC

Molecular Weight¹

202.33

CAS

5921-80-2

Other Names

• Butyraldehyde, dibutyl acetal
• Lageracetal
• 1,1-Dibutoxybutane

• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-162.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-560.73	kJ/mol	Joback Calculated Property
ΔfusH°	25.69	kJ/mol	Joback Calculated Property
ΔvapH°	46.74	kJ/mol	Joback Calculated Property
log10WS	-3.63		Crippen 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	[1229.00; 1229.00]
Inp	1229.00		NIST
Inp	1229.00		NIST
Tboil	486.00 ± 5.00	K	NIST
Tc	682.34	K	Joback Calculated Property
Tfus	254.46	K	Joback Calculated Property
Vc	0.738	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[464.54; 555.42]	J/mol×K	[518.36; 682.34]
Cp,gas	464.54	J/mol×K	518.36	Joback Calculated Property
Cp,gas	481.08	J/mol×K	545.69	Joback Calculated Property
Cp,gas	497.06	J/mol×K	573.02	Joback Calculated Property
Cp,gas	512.48	J/mol×K	600.35	Joback Calculated Property
Cp,gas	527.34	J/mol×K	627.68	Joback Calculated Property
Cp,gas	541.66	J/mol×K	655.01	Joback Calculated Property
Cp,gas	555.42	J/mol×K	682.34	Joback Calculated Property
η	[0.0001359; 0.0042647]	Pa×s	[254.46; 518.36]
η	0.0042647	Pa×s	254.46	Joback Calculated Property
η	0.0015728	Pa×s	298.44	Joback Calculated Property
η	0.0007494	Pa×s	342.43	Joback Calculated Property
η	0.0004228	Pa×s	386.41	Joback Calculated Property
η	0.0002681	Pa×s	430.39	Joback Calculated Property
η	0.0001850	Pa×s	474.38	Joback Calculated Property
η	0.0001359	Pa×s	518.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butane, 1,1-dibutoxy-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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