Chemical Properties of sec-Butyl acetate (CAS 105-46-4)

InChI

InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3

InChI Key

DCKVNWZUADLDEH-UHFFFAOYSA-N

Formula

C6H12O2

SMILES

CCC(C)OC(C)=O

Molecular Weight¹

116.16

CAS

105-46-4

Other Names

• 1-Methylpropyl acetate
• 1-methylpropyl ethanoate
• 2-Butanol acetate
• 2-butyl acetate
• Acetate de butyle secondaire
• Acetic acid, 2-butoxy ester
• Acetic acid, sec-butyl ester
• CH3COOCH(CH3)C2H5
• NSC 8034
• acetic acid, 1-methylpropyl ester
• dl-sec-Butyl acetate
• sec-Butyl alcohol acetate
• sec-butyl ethanoate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• 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	0.4028		Relay (1.0) Calculated Property
ΔfH°gas	-526.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.14	kJ/mol	Joback Calculated Property
ΔvapH°	42.96	kJ/mol	Relay (1.0) Calculated Property
IE	[9.90; 9.97]	eV
IE	9.90	eV	NIST
IE	9.90	eV	NIST
IE	9.97 ± 0.05	eV	NIST
IE	9.91 ± 0.03	eV	NIST
log10WS	-0.99		Relay (1.0) Calculated Property
logPoct/wat	1.348		Crippen Calculated Property
McVol	102.840	ml/mol	McGowan Calculated Property
Pc	3152.62	kPa	Joback Calculated Property
Inp	[737.00; 758.00]
Inp	746.00		NIST
Inp	740.00		NIST
Inp	738.10		NIST
Inp	746.00		NIST
Inp	737.00		NIST
Inp	749.00		NIST
Inp	745.00		NIST
Inp	Outlier 758.00		NIST
Inp	738.00		NIST
Inp	746.00		NIST
Inp	744.00		NIST
Inp	749.00		NIST
Inp	746.00		NIST
I	[974.00; 993.00]
I	985.00		NIST
I	990.00		NIST
I	988.00		NIST
I	974.00		NIST
I	974.00		NIST
I	993.00		NIST
I	982.00		NIST
I	974.00		NIST
I	985.00		NIST
Tboil	[383.20; 389.65]	K
Tboil	385.33	K	Experimental isobaric vapour-liquid equilibrium data for the binary system (N, N-dimethyl acetamide + dimethyl sulfoxide) and the quaternary system (sec-butyl acetate + sec-butyl alcohol + N, N-dimethyl acetamide + dimethyl sulfoxide) at 101.3 kPa
Tboil	385.12	K	Isobaric Vapor Liquid Equilibrium for the Binary Systems of sec-Butyl Acetate + n-Butyl Alcohol, Isobutyl Alcohol, or tert-Butyl Alcohol at 101.3 kPa
Tboil	385.15	K	Isobaric Vapor-Liquid Equilibrium for Two Binary Systems of n-Heptane + sec-Butyl Acetate and Methylcyclohexane + sec-Butyl Acetate under Atmosphere
Tboil	385.15	K	Isobaric Vapor-Liquid Equilibrium for the Binary Systems of 1,2-Dichloroethane + sec-Butyl Acetate, n-Propyl Acetate, and tert-Butyl Acetate at 101.3 kPa
Tboil	385.25	K	Experimental Measurements of Vapor Liquid Equilibrium Data for the Binary Systems of Methanol + 2-Butyl Acetate, 2-Butyl Alcohol + 2-Butyl Acetate, and Methyl Acetate + 2-Butyl Acetate at 101.33 kPa
Tboil	385.20	K	Investigation on Isobaric Vapor Liquid Equilibrium for Water + Acetic Acid + sec-Butyl Acetate
Tboil	385.40	K	NIST
Tboil	385.00	K	NIST
Tboil	384.00 ± 3.00	K	NIST
Tboil	383.20 ± 2.00	K	NIST
Tboil	385.00 ± 2.00	K	NIST
Tboil	Outlier 389.65 ± 1.00	K	NIST
Tboil	385.35 ± 1.00	K	NIST
Tc	554.30	K	Relay (1.0) Calculated Property
Tfus	193.72	K	Relay (1.0) Calculated Property
Vc	0.391	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[195.61; 252.93]	J/mol×K	[394.66; 572.39]
Cp,gas	195.61	J/mol×K	394.66	Joback Calculated Property
Cp,gas	206.07	J/mol×K	424.28	Joback Calculated Property
Cp,gas	216.17	J/mol×K	453.90	Joback Calculated Property
Cp,gas	225.91	J/mol×K	483.52	Joback Calculated Property
Cp,gas	235.28	J/mol×K	513.14	Joback Calculated Property
Cp,gas	244.29	J/mol×K	542.76	Joback Calculated Property
Cp,gas	252.93	J/mol×K	572.39	Joback Calculated Property
η	[0.0002534; 0.0108017]	Pa×s	[184.71; 394.66]
η	0.0108017	Pa×s	184.71	Joback Calculated Property
η	0.0035121	Pa×s	219.70	Joback Calculated Property
η	0.0015550	Pa×s	254.69	Joback Calculated Property
η	0.0008382	Pa×s	289.69	Joback Calculated Property
η	0.0005162	Pa×s	324.68	Joback Calculated Property
η	0.0003494	Pa×s	359.67	Joback Calculated Property
η	0.0002534	Pa×s	394.66	Joback Calculated Property
Pvap	[101.30; 101.33]	kPa	[385.15; 385.25]
Pvap	101.30	kPa	385.15	Isobaric Vapor-Liquid Equilibrium for Two Binary Systems of n-Heptane + sec-Butyl Acetate and Methylcyclohexane + sec-Butyl Acetate under Atmosphere
Pvap	101.30	kPa	385.15	Isobaric Vapor-Liquid Equilibrium for the Binary Systems of 1,2-Dichloroethane + sec-Butyl Acetate, n-Propyl Acetate, and tert-Butyl Acetate at 101.3 kPa
Pvap	101.33	kPa	385.25	Experimental Measurements of Vapor Liquid Equilibrium Data for the Binary Systems of Methanol + 2-Butyl Acetate, 2-Butyl Alcohol + 2-Butyl Acetate, and Methyl Acetate + 2-Butyl Acetate at 101.33 kPa
n0	1.38700		298.15	Liquid-Liquid Equilibria for the System 1-Methyl Propyl Ethanoate (1) + Acetic Acid (2) + Water (3) at (283.15 and 323.15) K
ρl	[863.80; 871.00]	kg/m3	[293.15; 298.15]
ρl	871.00	kg/m3	293.15	Liquid - liquid equilibrium for the quaternary reaction system water p sec-butyl alcohol p sec-butyl acetate p acetic acid
ρl	866.40	kg/m3	298.15	Isobaric vapor-liquid equilibrium of the binary system sec-butyl acetate + para-xylene and the quaternary system methyl acetate + para-xylene + sec-butyl acetate + acetic acid at 101.3 kPa
ρl	863.80	kg/m3	298.15	Isobaric Vapor Liquid Equilibrium for the Binary Systems of sec-Butyl Acetate + Methyl Ethyl Ketone, 2-Methoxyethanol, or 1,2-Dimethoxyethane at 101.3 kPa
ρl	867.00	kg/m3	298.15	Isobaric Vapor-Liquid Equilibrium for the Binary Systems of Sec-butyl Acetate and Ethanol, 1-Propanol, or 2-Propanol at 101.3 kPa

Datasets

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
298.15	100.00	865.5
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[6.56; 1893.93]	kPa	[313.15; 523.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.94870e+01
Coefficient B			-5.11855e+03
Coefficient C			-1.39214e-01
Coefficient D			-4.69511e-06
Temperature range, min.			313.15
Temperature range, max.			523.15
Pvap	6.56	kPa	313.15	Calculated Property
Pvap	18.79	kPa	336.48	Calculated Property
Pvap	46.26	kPa	359.82	Calculated Property
Pvap	100.53	kPa	383.15	Calculated Property
Pvap	196.88	kPa	406.48	Calculated Property
Pvap	353.11	kPa	429.82	Calculated Property
Pvap	587.51	kPa	453.15	Calculated Property
Pvap	916.16	kPa	476.48	Calculated Property
Pvap	1350.29	kPa	499.82	Calculated Property
Pvap	1893.93	kPa	523.15	Calculated Property

Similar Compounds

Find more compounds similar to sec-Butyl acetate.

Mixtures

• sec-Butyl acetate + Acetic acid + Water
• sec-Butyl acetate + Dimethyl Sulfoxide
• sec-Butyl acetate + N,N-Dimethylacetamide
• sec-Butyl acetate + Formamide, N,N-dimethyl-
• sec-Butyl acetate + p-Xylene
• sec-Butyl acetate + Simvastatin
• sec-Butyl acetate + 1-Butanol
• sec-Butyl acetate + 1-Propanol, 2-methyl-
• 2-Propanol, 2-methyl- + sec-Butyl acetate
• sec-Butyl acetate + Methyl Alcohol
• sec-Butyl acetate + Acetic acid, methyl ester
• sec-Butyl acetate + Heptane
• sec-Butyl acetate + Cyclohexane, methyl-
• Diethyl carbonate + sec-Butyl acetate
• sec-Butyl acetate + Ethane, 1,2-dichloro-
• sec-Butyl acetate + Ethanol
• 1-Propanol + sec-Butyl acetate
• sec-Butyl acetate + 2-Propanol
• sec-Butyl acetate + Acetic acid
• sec-Butyl acetate + 2-Butanone

Find more mixtures with sec-Butyl acetate.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solubility and limiting activity coefficient of simvastatin in different organic solvents
• Liquid liquid equilibrium of the ternary system water + acetic acid + sec-butyl acetate
• Experimental isobaric vapor-liquid equilibrium for ternary system of sec-butyl alcohol + sec-butyl acetate + N,N-dimethyl formamide at 101.3 kPa
• Isobaric vapor-liquid equilibrium for ternary system of sec-butyl alcohol + sec-butyl acetate + N,N- dimethyl acetamide at 101.3 kPa
• Isobaric vapor-liquid equilibrium of the binary system sec-butyl acetate + para-xylene and the quaternary system methyl acetate + para-xylene + sec-butyl acetate + acetic acid at 101.3 kPa
• Experimental isobaric vapor-liquid equilibrium for the ternary system of sec-butyl alcohol + sec-butyl acetate + dimethyl sulfoxide at 101.3 kPa
• Liquid - liquid equilibrium for the quaternary reaction system water p sec-butyl alcohol p sec-butyl acetate p acetic acid
• Experimental isobaric vapour-liquid equilibrium data for the binary system (N, N-dimethyl acetamide + dimethyl sulfoxide) and the quaternary system (sec-butyl acetate + sec-butyl alcohol + N, N-dimethyl acetamide + dimethyl sulfoxide) at 101.3 kPa
• Isobaric Vapor Liquid Equilibrium for the Binary Systems of sec-Butyl Acetate + Methyl Ethyl Ketone, 2-Methoxyethanol, or 1,2-Dimethoxyethane at 101.3 kPa
• Isobaric Vapor Liquid Equilibrium for the Binary Systems of sec-Butyl Acetate + n-Butyl Alcohol, Isobutyl Alcohol, or tert-Butyl Alcohol at 101.3 kPa
• Isobaric Vapor-Liquid Equilibrium for the Binary Systems of Sec-butyl Acetate and Ethanol, 1-Propanol, or 2-Propanol at 101.3 kPa
• Isobaric Vapor-Liquid Equilibrium for Two Binary Systems of n-Heptane + sec-Butyl Acetate and Methylcyclohexane + sec-Butyl Acetate under Atmosphere
• Isobaric Vapor-Liquid Equilibrium for the Binary Systems of 1,2-Dichloroethane + sec-Butyl Acetate, n-Propyl Acetate, and tert-Butyl Acetate at 101.3 kPa
• Liquid-Liquid Equilibrium of the Ternary System sec-Butyl Acetate + sec-Butyl Alcohol + Ethylene Glycol at 298.2, 308.2, and 318.2 K
• Isobaric Vapor-Liquid Equilibria of Binary Mixtures of Diethyl Carbonate with Isopropyl Acetate, sec-Butyl Acetate, or Isoamyl Acetate at 101.3 kPa
• Experimental Measurements of Vapor Liquid Equilibrium Data for the Binary Systems of Methanol + 2-Butyl Acetate, 2-Butyl Alcohol + 2-Butyl Acetate, and Methyl Acetate + 2-Butyl Acetate at 101.33 kPa
• Investigation on Isobaric Vapor Liquid Equilibrium for Water + Acetic Acid + sec-Butyl Acetate
• Solubility of Lovastatin in Ethyl Acetate, Propyl Acetate, Isopropyl Acetate, Butyl Acetate, sec-Butyl Acetate, Isobutyl Acetate, tert-Butyl Acetate, and 2-Butanone, between (285 and 313) K
• Liquid-Liquid Equilibria for the System 1-Methyl Propyl Ethanoate (1) + Acetic Acid (2) + Water (3) at (283.15 and 323.15) K
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
These property values are available through the Cheméo API. A free account gives you an access key.