Chemical Properties of 1-Butanol, 3-methoxy- (CAS 2517-43-3)

InChI

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

InChI Key

JSGVZVOGOQILFM-UHFFFAOYSA-N

Formula

C5H12O2

SMILES

COC(C)CCO

Molecular Weight¹

104.15

CAS

2517-43-3

Other Names

• 3-Methoxy-1-butanol
• 3-Methoxybutanol
• 3-methoxybutan-1-ol
• Methoxybutanol

• 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_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°	-253.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-436.26	kJ/mol	Joback Calculated Property
ΔfusH°	10.46	kJ/mol	Joback Calculated Property
ΔvapH°	45.42	kJ/mol	Joback Calculated Property
log10WS	-0.38		Crippen Calculated Property
logPoct/wat	0.404		Crippen Calculated Property
McVol	93.050	ml/mol	McGowan Calculated Property
Pc	3834.03	kPa	Joback Calculated Property
Inp	[782.00; 814.00]
Inp	782.00		NIST
Inp	790.00		NIST
Inp	814.00		NIST
Tboil	433.00 ± 2.00	K	NIST
Tc	593.40	K	Joback Calculated Property
Tfus	214.16	K	Joback Calculated Property
Vc	0.346	m3/kmol	Joback 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; 202.64]	kPa	[330.22; 457.20]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.59735e+01
Coefficient B			-4.22716e+03
Coefficient C			-6.07320e+01
Temperature range, min.			330.22
Temperature range, max.			457.20
Pvap	1.33	kPa	330.22	Calculated Property
Pvap	2.91	kPa	344.33	Calculated Property
Pvap	5.90	kPa	358.44	Calculated Property
Pvap	11.21	kPa	372.55	Calculated Property
Pvap	20.16	kPa	386.66	Calculated Property
Pvap	34.53	kPa	400.76	Calculated Property
Pvap	56.66	kPa	414.87	Calculated Property
Pvap	89.52	kPa	428.98	Calculated Property
Pvap	136.73	kPa	443.09	Calculated Property
Pvap	202.64	kPa	457.20	Calculated Property

Similar Compounds

Find more compounds similar to 1-Butanol, 3-methoxy-.

Sources

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

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