Chemical Properties of 2-Butanol, 1-methoxy- (CAS 53778-73-7)

InChI

InChI=1S/C5H12O2/c1-3-5(6)4-7-2/h5-6H,3-4H2,1-2H3

InChI Key

CSZZMFWKAQEMPB-UHFFFAOYSA-N

Formula

C5H12O2

SMILES

CCC(O)COC

Molecular Weight¹

104.15

CAS

53778-73-7

Other Names

• 1-Methoxy-2-butanol
• 1-methoxybutan-2-ol

• 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).
• 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
ω	0.5662		Relay (1.0) Calculated Property
ΔfG°	-253.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-444.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.46	kJ/mol	Joback Calculated Property
ΔvapH°	52.02	kJ/mol	Relay (1.0) Calculated Property
IE	9.75	eV	Relay (1.0) Calculated Property
log10WS	0.49		Relay (1.0) Calculated Property
logPoct/wat	0.404		Crippen Calculated Property
McVol	93.050	ml/mol	McGowan Calculated Property
Pc	3834.03	kPa	Joback Calculated Property
I	[1324.00; 1324.00]
I	1324.00		NIST
I	1324.00		NIST
Tboil	412.71	K	Relay (1.0) Calculated Property
Tc	576.10	K	Relay (1.0) Calculated Property
Tfus	220.64	K	Relay (1.0) Calculated Property
Vc	0.342	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[191.34; 238.21]	J/mol×K	[427.96; 593.40]
Cp,gas	191.34	J/mol×K	427.96	Joback Calculated Property
Cp,gas	199.79	J/mol×K	455.53	Joback Calculated Property
Cp,gas	207.98	J/mol×K	483.11	Joback Calculated Property
Cp,gas	215.92	J/mol×K	510.68	Joback Calculated Property
Cp,gas	223.60	J/mol×K	538.25	Joback Calculated Property
Cp,gas	231.03	J/mol×K	565.83	Joback Calculated Property
Cp,gas	238.21	J/mol×K	593.40	Joback Calculated Property
η	[0.0002180; 0.1081645]	Pa×s	[214.16; 427.96]
η	0.1081645	Pa×s	214.16	Joback Calculated Property
η	0.0183815	Pa×s	249.79	Joback Calculated Property
η	0.0048625	Pa×s	285.43	Joback Calculated Property
η	0.0017280	Pa×s	321.06	Joback Calculated Property
η	0.0007551	Pa×s	356.69	Joback Calculated Property
η	0.0003835	Pa×s	392.33	Joback Calculated Property
η	0.0002180	Pa×s	427.96	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[311.82; 424.54]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.67874e+01
Coefficient B			-4.24840e+03
Coefficient C			-5.43380e+01
Temperature range, min.			311.82
Temperature range, max.			424.54
Pvap	1.33	kPa	311.82	Calculated Property
Pvap	2.87	kPa	324.34	Calculated Property
Pvap	5.76	kPa	336.87	Calculated Property
Pvap	10.90	kPa	349.39	Calculated Property
Pvap	19.59	kPa	361.92	Calculated Property
Pvap	33.63	kPa	374.44	Calculated Property
Pvap	55.43	kPa	386.97	Calculated Property
Pvap	88.11	kPa	399.49	Calculated Property
Pvap	135.59	kPa	412.02	Calculated Property
Pvap	202.65	kPa	424.54	Calculated Property

Similar Compounds

Find more compounds similar to 2-Butanol, 1-methoxy-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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