Chemical Properties of Butane, 1-methoxy-3-methyl- (CAS 626-91-5)

InChI

InChI=1S/C6H14O/c1-6(2)4-5-7-3/h6H,4-5H2,1-3H3

InChI Key

ZQAYBCWERYRAMF-UHFFFAOYSA-N

Formula

C6H14O

SMILES

COCCC(C)C

Molecular Weight¹

102.17

CAS

626-91-5

Other Names

• Ether, isopentyl methyl
• Isopentyl methyl ether
• (CH3)2CHCH2CH2OCH3
• 4-Methoxy-2-methylbutane
• 1-Methoxy-isopentane
• Methyl isopentyl ether

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-107.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-304.67	kJ/mol	Joback Calculated Property
ΔfusH°	8.96	kJ/mol	Joback Calculated Property
ΔvapH°	35.75	kJ/mol	NIST
IE	9.65	eV	NIST
log10WS	-1.18		Crippen Calculated Property
logPoct/wat	1.679		Crippen Calculated Property
McVol	101.270	ml/mol	McGowan Calculated Property
Pc	3076.16	kPa	Joback Calculated Property
Inp	[684.00; 693.80]
Inp	693.80		NIST
Inp	684.00		NIST
Inp	684.00		NIST
Inp	693.80		NIST
Tboil	364.60	K	NIST
Tc	527.06	K	Joback Calculated Property
Tfus	164.61	K	Joback Calculated Property
Vc	0.384	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[181.69; 240.11]	J/mol×K	[358.66; 527.06]
Cp,gas	181.69	J/mol×K	358.66	Joback Calculated Property
Cp,gas	192.17	J/mol×K	386.73	Joback Calculated Property
Cp,gas	202.35	J/mol×K	414.79	Joback Calculated Property
Cp,gas	212.24	J/mol×K	442.86	Joback Calculated Property
Cp,gas	221.82	J/mol×K	470.92	Joback Calculated Property
Cp,gas	231.12	J/mol×K	498.99	Joback Calculated Property
Cp,gas	240.11	J/mol×K	527.06	Joback Calculated Property
η	[0.0002155; 0.0064749]	Pa×s	[164.61; 358.66]
η	0.0064749	Pa×s	164.61	Joback Calculated Property
η	0.0023051	Pa×s	196.95	Joback Calculated Property
η	0.0010982	Pa×s	229.29	Joback Calculated Property
η	0.0006285	Pa×s	261.63	Joback Calculated Property
η	0.0004067	Pa×s	293.98	Joback Calculated Property
η	0.0002868	Pa×s	326.32	Joback Calculated Property
η	0.0002155	Pa×s	358.66	Joback Calculated Property
ΔvapH	31.29	kJ/mol	364.60	NIST

Similar Compounds

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

Sources

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

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