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

• 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).
• 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
ω	0.3401		Relay (1.0) Calculated Property
ΔfG°	-107.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-285.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.96	kJ/mol	Joback Calculated Property
ΔvapH°	35.75	kJ/mol	NIST
IE	9.65	eV	NIST
log10WS	-1.34		Relay (1.0) 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	534.08	K	Relay (1.0) Calculated Property
Tfus	160.86	K	Relay (1.0) Calculated Property
Vc	0.366	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[147.85; 347.91]	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			2.12520e+01
Coefficient B			5.16560e-01
Coefficient C			-1.94800e-04
Coefficient D			4.90000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	147.85	J/mol×K	273.00	Calculated Property
Cp,gas	179.84	J/mol×K	353.78	Calculated Property
Cp,gas	209.34	J/mol×K	434.56	Calculated Property
Cp,gas	236.39	J/mol×K	515.33	Calculated Property
Cp,gas	261.00	J/mol×K	596.11	Calculated Property
Cp,gas	283.17	J/mol×K	676.89	Calculated Property
Cp,gas	302.94	J/mol×K	757.67	Calculated Property
Cp,gas	320.30	J/mol×K	838.44	Calculated Property
Cp,gas	335.29	J/mol×K	919.22	Calculated Property
Cp,gas	347.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0064749; 0.0001985]	Pa×s	[164.61; 369.14]	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			-1.13293e+01
Coefficient B			1.03531e+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.			164.61
Temperature range, max.			369.14
η	0.0064749	Pa×s	164.61	Calculated Property
η	0.0030191	Pa×s	187.34	Calculated Property
η	0.0016604	Pa×s	210.06	Calculated Property
η	0.0010262	Pa×s	232.79	Calculated Property
η	0.0006910	Pa×s	255.51	Calculated Property
η	0.0004963	Pa×s	278.24	Calculated Property
η	0.0003747	Pa×s	300.97	Calculated Property
η	0.0002943	Pa×s	323.69	Calculated Property
η	0.0002386	Pa×s	346.42	Calculated Property
η	0.0001985	Pa×s	369.14	Calculated Property

Similar Compounds

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

Sources

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

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