Chemical Properties of 3-Methoxy-3-methylbutanol (CAS 56539-66-3)

InChI

InChI=1S/C6H14O2/c1-6(2,8-3)4-5-7/h7H,4-5H2,1-3H3

InChI Key

MFKRHJVUCZRDTF-UHFFFAOYSA-N

Formula

C6H14O2

SMILES

COC(C)(C)CCO

Molecular Weight¹

118.17

CAS

56539-66-3

Other Names

• 1-Butanol, 3-methoxy-3-methyl-
• 3-Methyl-3-methoxy-1-butanol
• 3-methoxy-3-methylbutan-1-ol

• 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).
• P_vap : Vapor pressure (kPa).
• 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
ΔfG°	-239.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-460.37	kJ/mol	Joback Calculated Property
ΔfusH°	9.16	kJ/mol	Joback Calculated Property
ΔvapH°	46.74	kJ/mol	Joback Calculated Property
log10WS	-0.80		Crippen Calculated Property
logPoct/wat	0.794		Crippen Calculated Property
McVol	107.140	ml/mol	McGowan Calculated Property
Pc	3460.21	kPa	Joback Calculated Property
I	[1434.00; 1434.00]
I	1434.00		NIST
I	1434.00		NIST
Tboil	448.05	K	Joback Calculated Property
Tc	618.94	K	Joback Calculated Property
Tfus	242.85	K	Joback Calculated Property
Vc	0.398	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[232.93; 288.52]	J/mol×K	[448.05; 618.94]
Cp,gas	232.93	J/mol×K	448.05	Joback Calculated Property
Cp,gas	243.25	J/mol×K	476.53	Joback Calculated Property
Cp,gas	253.13	J/mol×K	505.01	Joback Calculated Property
Cp,gas	262.58	J/mol×K	533.49	Joback Calculated Property
Cp,gas	271.62	J/mol×K	561.97	Joback Calculated Property
Cp,gas	280.27	J/mol×K	590.46	Joback Calculated Property
Cp,gas	288.52	J/mol×K	618.94	Joback Calculated Property
η	[0.0001995; 0.0527584]	Pa×s	[242.85; 448.05]
η	0.0527584	Pa×s	242.85	Joback Calculated Property
η	0.0117321	Pa×s	277.05	Joback Calculated Property
η	0.0036303	Pa×s	311.25	Joback Calculated Property
η	0.0014170	Pa×s	345.45	Joback Calculated Property
η	0.0006553	Pa×s	379.65	Joback Calculated Property
η	0.0003442	Pa×s	413.85	Joback Calculated Property
η	0.0001995	Pa×s	448.05	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[343.82; 447.58]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.87890e+01
Coefficient B			-5.15009e+03
Coefficient C			-6.54580e+01
Temperature range, min.			343.82
Temperature range, max.			447.58
Pvap	1.33	kPa	343.82	Calculated Property
Pvap	2.78	kPa	355.35	Calculated Property
Pvap	5.49	kPa	366.88	Calculated Property
Pvap	10.30	kPa	378.41	Calculated Property
Pvap	18.49	kPa	389.94	Calculated Property
Pvap	31.87	kPa	401.46	Calculated Property
Pvap	52.99	kPa	412.99	Calculated Property
Pvap	85.28	kPa	424.52	Calculated Property
Pvap	133.23	kPa	436.05	Calculated Property
Pvap	202.63	kPa	447.58	Calculated Property

Similar Compounds

Find more compounds similar to 3-Methoxy-3-methylbutanol.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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