Chemical Properties of 2-Propanol, 1-butoxy- (CAS 5131-66-8)

InChI

InChI=1S/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3

InChI Key

RWNUSVWFHDHRCJ-UHFFFAOYSA-N

Formula

C7H16O2

SMILES

CCCCOCC(C)O

Molecular Weight¹

132.20

CAS

5131-66-8

Other Names

• 1,2-Propylene glycol 1-monobutyl ether
• 1-butoxy-2-propanol
• 1-butoxypropan-2-ol
• 2-Hydroxy-3-butoxypropane
• NSC 2211
• Propasol solvent B
• Propylene glycol monobutyl ether
• Propylene glycol n-butyl ether
• n-Butoxypropanol
• propane, 1-butoxy-2-hydroxy-
• propyleneglycol, 1-butyl ether

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• c_sound,fluid : Speed of sound in fluid (m/s).
• 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	0.6474		Relay (1.0) Calculated Property
ΔfG°	-236.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-502.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.64	kJ/mol	Joback Calculated Property
ΔvapH°	59.50	kJ/mol	Relay (1.0) Calculated Property
IE	9.77	eV	Relay (1.0) Calculated Property
log10WS	-0.52		Relay (1.0) Calculated Property
logPoct/wat	1.184		Crippen Calculated Property
McVol	121.230	ml/mol	McGowan Calculated Property
Pc	2700.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Inp	[923.00; 948.00]
Inp	936.20		NIST
Inp	936.70		NIST
Inp	928.00		NIST
Inp	941.00		NIST
Inp	945.00		NIST
Inp	947.00		NIST
Inp	948.00		NIST
Inp	936.00		NIST
Inp	Outlier 923.00		NIST
Inp	936.20		NIST
Inp	941.00		NIST
Ip	1363.50		NIST
Tboil	443.35	K	NIST
Tc	625.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Tfus	208.32	K	Relay (1.0) Calculated Property
Vc	0.460	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[302.30; 335.50]	J/mol×K	[275.15; 339.15]
Cp,liquid	302.30	J/mol×K	275.15	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	303.20	J/mol×K	276.65	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	304.10	J/mol×K	278.15	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	305.00	J/mol×K	279.65	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	305.90	J/mol×K	281.15	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	306.80	J/mol×K	282.65	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	307.60	J/mol×K	284.15	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	308.50	J/mol×K	285.65	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	309.30	J/mol×K	287.15	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	310.20	J/mol×K	288.65	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	311.00	J/mol×K	290.15	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	311.90	J/mol×K	291.65	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	312.70	J/mol×K	293.15	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	313.50	J/mol×K	294.65	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	314.40	J/mol×K	296.15	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	315.20	J/mol×K	297.65	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	315.50	J/mol×K	298.15	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	316.00	J/mol×K	299.15	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	316.80	J/mol×K	300.65	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	317.60	J/mol×K	302.15	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	318.40	J/mol×K	303.65	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	319.20	J/mol×K	305.15	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	320.00	J/mol×K	306.65	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	320.70	J/mol×K	308.15	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	321.50	J/mol×K	309.65	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	322.30	J/mol×K	311.15	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	323.00	J/mol×K	312.65	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	323.80	J/mol×K	314.15	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	324.50	J/mol×K	315.65	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	325.30	J/mol×K	317.15	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	326.00	J/mol×K	318.65	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	326.80	J/mol×K	320.15	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	327.50	J/mol×K	321.65	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	328.20	J/mol×K	323.15	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	328.90	J/mol×K	324.65	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	329.60	J/mol×K	326.15	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	330.30	J/mol×K	327.65	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	331.00	J/mol×K	329.15	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	331.70	J/mol×K	330.65	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	332.40	J/mol×K	332.15	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	333.10	J/mol×K	333.65	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	333.80	J/mol×K	335.15	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	334.40	J/mol×K	336.65	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	335.10	J/mol×K	338.15	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
Cp,liquid	335.50	J/mol×K	339.15	Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
ρl	[861.24; 879.03]	kg/m3	[293.15; 313.15]
ρl	879.03	kg/m3	293.15	Molecular interactions in binary mixtures of 1-butoxy-2-propanol with alcohols at different temperatures: A thermophysical and spectroscopic approach
ρl	874.63	kg/m3	298.15	Molecular interactions in binary mixtures of 1-butoxy-2-propanol with alcohols at different temperatures: A thermophysical and spectroscopic approach
ρl	870.20	kg/m3	303.15	Molecular interactions in binary mixtures of 1-butoxy-2-propanol with alcohols at different temperatures: A thermophysical and spectroscopic approach
ρl	865.74	kg/m3	308.15	Molecular interactions in binary mixtures of 1-butoxy-2-propanol with alcohols at different temperatures: A thermophysical and spectroscopic approach
ρl	861.24	kg/m3	313.15	Molecular interactions in binary mixtures of 1-butoxy-2-propanol with alcohols at different temperatures: A thermophysical and spectroscopic approach
csound,fluid	[1207.02; 1297.59]	m/s	[288.15; 313.15]
csound,fluid	1297.59	m/s	288.15	Densities and Speeds of Sound of Binary Liquid Mixtures of Some n-Alkoxypropanols with Methyl Acetate, Ethyl Acetate, and n-Butyl Acetate at T = (288.15, 293.15, 298.15, 303.15, and 308.15) K
csound,fluid	1278.98	m/s	293.15	Thermodynamic and spectral studies of molecular interactions in binary liquid mixtures of 1-butoxy-2- propanol with 1-alcohols
csound,fluid	1279.95	m/s	293.15	Densities and Speeds of Sound of Binary Liquid Mixtures of Some n-Alkoxypropanols with Methyl Acetate, Ethyl Acetate, and n-Butyl Acetate at T = (288.15, 293.15, 298.15, 303.15, and 308.15) K
csound,fluid	1260.90	m/s	298.15	Thermodynamic and spectral studies of molecular interactions in binary liquid mixtures of 1-butoxy-2- propanol with 1-alcohols
csound,fluid	1261.87	m/s	298.15	Densities and Speeds of Sound of Binary Liquid Mixtures of Some n-Alkoxypropanols with Methyl Acetate, Ethyl Acetate, and n-Butyl Acetate at T = (288.15, 293.15, 298.15, 303.15, and 308.15) K
csound,fluid	1242.94	m/s	303.15	Thermodynamic and spectral studies of molecular interactions in binary liquid mixtures of 1-butoxy-2- propanol with 1-alcohols
csound,fluid	1243.85	m/s	303.15	Densities and Speeds of Sound of Binary Liquid Mixtures of Some n-Alkoxypropanols with Methyl Acetate, Ethyl Acetate, and n-Butyl Acetate at T = (288.15, 293.15, 298.15, 303.15, and 308.15) K
csound,fluid	1224.91	m/s	308.15	Thermodynamic and spectral studies of molecular interactions in binary liquid mixtures of 1-butoxy-2- propanol with 1-alcohols
csound,fluid	1225.83	m/s	308.15	Densities and Speeds of Sound of Binary Liquid Mixtures of Some n-Alkoxypropanols with Methyl Acetate, Ethyl Acetate, and n-Butyl Acetate at T = (288.15, 293.15, 298.15, 303.15, and 308.15) K
csound,fluid	1207.02	m/s	313.15	Thermodynamic and spectral studies of molecular interactions in binary liquid mixtures of 1-butoxy-2- propanol with 1-alcohols

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[181.57; 418.17]	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			2.56340e+01
Coefficient B			6.45540e-01
Coefficient C			-2.79600e-04
Coefficient D			2.66000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	181.57	J/mol×K	273.00	Calculated Property
Cp,gas	220.20	J/mol×K	353.78	Calculated Property
Cp,gas	255.54	J/mol×K	434.56	Calculated Property
Cp,gas	287.69	J/mol×K	515.33	Calculated Property
Cp,gas	316.73	J/mol×K	596.11	Calculated Property
Cp,gas	342.74	J/mol×K	676.89	Calculated Property
Cp,gas	365.80	J/mol×K	757.67	Calculated Property
Cp,gas	386.01	J/mol×K	838.44	Calculated Property
Cp,gas	403.44	J/mol×K	919.22	Calculated Property
Cp,gas	418.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0625947; 0.0002496]	Pa×s	[236.70; 437.50]	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			-1.48077e+01
Coefficient B			2.84906e+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.			236.70
Temperature range, max.			437.50
η	0.0625947	Pa×s	236.70	Calculated Property
η	0.0221947	Pa×s	259.01	Calculated Property
η	0.0092765	Pa×s	281.32	Calculated Property
η	0.0044076	Pa×s	303.63	Calculated Property
η	0.0023188	Pa×s	325.94	Calculated Property
η	0.0013245	Pa×s	348.26	Calculated Property
η	0.0008094	Pa×s	370.57	Calculated Property
η	0.0005230	Pa×s	392.88	Calculated Property
η	0.0003542	Pa×s	415.19	Calculated Property
η	0.0002496	Pa×s	437.50	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[341.82; 466.94]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.64361e+01
Coefficient B			-4.47407e+03
Coefficient C			-6.47630e+01
Temperature range, min.			341.82
Temperature range, max.			466.94
Pvap	1.33	kPa	341.82	Calculated Property
Pvap	2.88	kPa	355.72	Calculated Property
Pvap	5.81	kPa	369.62	Calculated Property
Pvap	11.03	kPa	383.53	Calculated Property
Pvap	19.83	kPa	397.43	Calculated Property
Pvap	34.00	kPa	411.33	Calculated Property
Pvap	55.95	kPa	425.23	Calculated Property
Pvap	88.70	kPa	439.14	Calculated Property
Pvap	136.07	kPa	453.04	Calculated Property
Pvap	202.66	kPa	466.94	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propanol, 1-butoxy-.

Mixtures

• 1-Propanol + 2-Propanol, 1-butoxy-
• 2-Propanol + 2-Propanol, 1-butoxy-
• 1-Butanol + 2-Propanol, 1-butoxy-
• 2-Propanol, 1-butoxy- + Water
• 2-Propanol, 1-butoxy- + Acetic acid, methyl ester
• Ethyl Acetate + 2-Propanol, 1-butoxy-
• Acetic acid, butyl ester + 2-Propanol, 1-butoxy-
• 2-Propanol, 1-butoxy- + 1-Hexanol
• 1-Octanol + 2-Propanol, 1-butoxy-
• 2-Propanol, 1-butoxy- + 1-Decanol
• 2-Butanol + 2-Propanol, 1-butoxy-

Sources

• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 ChEDL chemicals 1.5.2, from Kudchadker, A. P.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 7. Oxygen Compounds Other Than Alkanols and Cycloalkanols. J. Chem. Eng. Data 2001, 46, 457-479.
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Heat capacity of dowanols within a temperature range of (275.15 to 339.15) K. Measurements and prediction.
• Molecular interactions in binary mixtures of 1-butoxy-2-propanol with alcohols at different temperatures: A thermophysical and spectroscopic approach
• Thermodynamic and spectral studies of molecular interactions in binary liquid mixtures of 1-butoxy-2- propanol with 1-alcohols
• Mutual Solubility and Lower Critical Solution Temperature for Water + Glycol Ether Systems
• Densities and Speeds of Sound of Binary Liquid Mixtures of Some n-Alkoxypropanols with Methyl Acetate, Ethyl Acetate, and n-Butyl Acetate at T = (288.15, 293.15, 298.15, 303.15, and 308.15) K
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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