Chemical Properties of 1-Butanol, 2-methyl-, acetate (CAS 624-41-9)

InChI

InChI=1S/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3

InChI Key

XHIUFYZDQBSEMF-UHFFFAOYSA-N

Formula

C7H14O2

SMILES

CCC(C)COC(C)=O

Molecular Weight¹

130.18

CAS

624-41-9

Other Names

• 2-Methybutyl acetate
• 2-Methyl-1-butanol acetate
• 2-Methyl-1-butyl acetate
• 2-Methylbutanol acetate
• 2-Methylbutyl acetate
• 2-methylbutyl ethanoate
• Acetic acid 2-methylbutyl ester
• Active amyl acetate
• acetic acid, 2-methylbutyl ester
• ethanoic acid, 2-methylbutyl ester

• 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.
• 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
ΔfG°	-228.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-437.89	kJ/mol	Joback Calculated Property
ΔfusH°	13.15	kJ/mol	Joback Calculated Property
ΔvapH°	39.94	kJ/mol	Joback Calculated Property
log10WS	-1.37		Crippen Calculated Property
logPoct/wat	1.596		Crippen Calculated Property
McVol	116.930	ml/mol	McGowan Calculated Property
Pc	2966.57	kPa	Joback Calculated Property
Inp	[852.00; 901.00]
Inp	865.00		NIST
Inp	869.00		NIST
Inp	868.00		NIST
Inp	869.00		NIST
Inp	868.00		NIST
Inp	880.00		NIST
Inp	886.00		NIST
Inp	880.00		NIST
Inp	877.00		NIST
Inp	879.00		NIST
Inp	878.00		NIST
Inp	892.00		NIST
Inp	879.00		NIST
Inp	880.00		NIST
Inp	863.00		NIST
Inp	880.00		NIST
Inp	876.00		NIST
Inp	877.00		NIST
Inp	878.00		NIST
Inp	872.00		NIST
Inp	874.00		NIST
Inp	Outlier 852.00		NIST
Inp	879.00		NIST
Inp	883.00		NIST
Inp	882.00		NIST
Inp	882.00		NIST
Inp	884.50		NIST
Inp	880.00		NIST
Inp	879.00		NIST
Inp	875.00		NIST
Inp	861.00		NIST
Inp	868.00		NIST
Inp	869.00		NIST
Inp	866.00		NIST
Inp	863.00		NIST
Inp	884.00		NIST
Inp	882.00		NIST
Inp	876.00		NIST
Inp	878.00		NIST
Inp	879.00		NIST
Inp	877.00		NIST
Inp	880.00		NIST
Inp	874.00		NIST
Inp	877.00		NIST
Inp	Outlier 856.00		NIST
Inp	880.00		NIST
Inp	879.00		NIST
Inp	862.00		NIST
Inp	883.00		NIST
Inp	Outlier 901.00		NIST
Inp	858.00		NIST
Inp	861.00		NIST
Inp	880.00		NIST
Inp	886.00		NIST
Inp	892.00		NIST
I	[1081.00; 1165.00]
I	1132.00		NIST
I	1145.00		NIST
I	1134.00		NIST
I	1128.00		NIST
I	1125.00		NIST
I	1125.00		NIST
I	1116.00		NIST
I	1111.00		NIST
I	1115.00		NIST
I	1119.00		NIST
I	1127.00		NIST
I	1126.00		NIST
I	1112.00		NIST
I	1112.00		NIST
I	1116.00		NIST
I	1119.00		NIST
I	1128.00		NIST
I	Outlier 1081.00		NIST
I	1121.00		NIST
I	1119.00		NIST
I	1125.00		NIST
I	1126.00		NIST
I	Outlier 1165.00		NIST
I	1108.00		NIST
I	Outlier 1096.00		NIST
I	1109.00		NIST
I	1109.00		NIST
I	1135.00		NIST
I	1117.00		NIST
I	1131.00		NIST
I	1131.00		NIST
I	1114.00		NIST
I	1131.00		NIST
I	1123.00		NIST
I	1131.00		NIST
I	1114.00		NIST
I	1131.00		NIST
I	1134.00		NIST
I	1134.00		NIST
I	1134.00		NIST
I	1110.00		NIST
I	1128.00		NIST
I	1126.00		NIST
Tboil	[411.38; 414.00]	K
Tboil	411.38	K	Isobari...
Tboil	414.00	K	NIST
Tboil	412.00 ± 2.00	K	NIST
Tboil	413.15 ± 1.00	K	NIST
Tc	615.76	K	Joback Calculated Property
Tfus	225.81	K	Joback Calculated Property
Vc	0.446	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[238.73; 301.45]	J/mol×K	[435.41; 615.76]
Cp,gas	238.73	J/mol×K	435.41	Joback Calculated Property
Cp,gas	250.17	J/mol×K	465.47	Joback Calculated Property
Cp,gas	261.22	J/mol×K	495.53	Joback Calculated Property
Cp,gas	271.87	J/mol×K	525.58	Joback Calculated Property
Cp,gas	282.12	J/mol×K	555.64	Joback Calculated Property
Cp,gas	291.98	J/mol×K	585.70	Joback Calculated Property
Cp,gas	301.45	J/mol×K	615.76	Joback Calculated Property
η	[0.0002542; 0.0047724]	Pa×s	[225.81; 435.41]
η	0.0047724	Pa×s	225.81	Joback Calculated Property
η	0.0021099	Pa×s	260.74	Joback Calculated Property
η	0.0011312	Pa×s	295.68	Joback Calculated Property
η	0.0006919	Pa×s	330.61	Joback Calculated Property
η	0.0004649	Pa×s	365.54	Joback Calculated Property
η	0.0003348	Pa×s	400.48	Joback Calculated Property
η	0.0002542	Pa×s	435.41	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.68]	kPa	[309.62; 439.25]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.51408e+01
Coefficient B			-3.76699e+03
Coefficient C			-5.60060e+01
Temperature range, min.			309.62
Temperature range, max.			439.25
Pvap	1.33	kPa	309.62	Calculated Property
Pvap	2.96	kPa	324.02	Calculated Property
Pvap	6.07	kPa	338.43	Calculated Property
Pvap	11.59	kPa	352.83	Calculated Property
Pvap	20.85	kPa	367.23	Calculated Property
Pvap	35.61	kPa	381.64	Calculated Property
Pvap	58.12	kPa	396.04	Calculated Property
Pvap	91.17	kPa	410.44	Calculated Property
Pvap	138.07	kPa	424.85	Calculated Property
Pvap	202.68	kPa	439.25	Calculated Property

Similar Compounds

Find more compounds similar to 1-Butanol, 2-methyl-, acetate.

Mixtures

• 1-Butanol, 2-methyl-, acetate + Formamide, N,N-dimethyl-
• 1-Butanol, 2-methyl-, acetate + Formamide, N,N-dimethyl- + 2-Methyl-1-butanol

Sources

• Crippen Method
• Crippen Method
• Isobaric Vapor Liquid Equilibria for the Binary and Ternary Systems of 2-Methyl-1-butanol, 2-Methyl-butanol Acetate, and Dimethylformamide (DMF) at 101.3 kPa
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.