Chemical Properties of 2-Butanol, 3-methyl- (CAS 598-75-4)

InChI

InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3

InChI Key

MXLMTQWGSQIYOW-UHFFFAOYSA-N

Formula

C5H12O

SMILES

CC(C)C(C)O

Molecular Weight¹

88.15

CAS

598-75-4

Other Names

• (.+/-.)-3-Methyl-2-butanol
• (CH3)2CHCH(OH)CH3
• 1,2-Dimethyl-1-propanol
• 1,2-Dimethylpropanol
• 2-Methyl-3-butanol
• 3-Methyl-butan-2-ol
• 3-methyl-2-butanol
• Butan-2-ol, 3-methyl-
• Methylisopropylcarbinol
• NSC 71162
• sec-Isoamyl alcohol

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• C_p,solid : Solid 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_fH°_liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• S°_gas : Molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5235		Relay (1.0) Calculated Property
ΔcH°liquid	-3315.10 ± 0.63	kJ/mol	NIST
Cp,liquid	249.50	J/mol×K	Partial Molar Heat Capacities and Partial Molar Volumes of All of the Isomeric (C3 to C5) Alkanols at Infinite Dilution in Water at 298.15 K
ΔfG°	-150.48	kJ/mol	Joback Calculated Property
ΔfH°gas	[-316.40; -313.10]	kJ/mol
ΔfH°gas	-316.40 ± 1.80	kJ/mol	NIST
ΔfH°gas	-313.10	kJ/mol	NIST
ΔfH°liquid	[-369.90; -366.60]	kJ/mol
ΔfH°liquid	-369.90 ± 1.40	kJ/mol	NIST
ΔfH°liquid	-366.60 ± 0.71	kJ/mol	NIST
ΔfusH°	5.75	kJ/mol	Joback Calculated Property
ΔvapH°	[51.60; 53.50]	kJ/mol
ΔvapH°	53.03	kJ/mol	NIST
ΔvapH°	51.60 ± 0.30	kJ/mol	NIST
ΔvapH°	53.50 ± 0.40	kJ/mol	NIST
ΔvapH°	51.70	kJ/mol	NIST
IE	[9.75; 10.01]	eV
IE	9.75 ± 0.05	eV	NIST
IE	10.01 ± 0.07	eV	NIST
log10WS	[-0.20; -0.18]
log10WS	-0.20		Aq. Solubility Prediction
log10WS	-0.18		Estimated Solubility
logPoct/wat	1.023		Crippen Calculated Property
McVol	87.180	ml/mol	McGowan Calculated Property
Pc	[3870.00; 3870.00]	kPa
Pc	3870.00	kPa	KDB
Pc	3870.00 ± 20.00	kPa	NIST
Pc	3870.00 ± 40.00	kPa	NIST
Inp	[646.00; 700.00]
Inp	683.00		NIST
Inp	683.00		NIST
Inp	668.00		NIST
Inp	683.00		NIST
Inp	690.00		NIST
Inp	699.00		NIST
Inp	683.00		NIST
Inp	668.00		NIST
Inp	683.00		NIST
Inp	690.00		NIST
Inp	699.00		NIST
Inp	683.00		NIST
Inp	668.00		NIST
Inp	670.00		NIST
Inp	652.00		NIST
Inp	656.00		NIST
Inp	672.00		NIST
Inp	663.00		NIST
Inp	692.10		NIST
Inp	664.00		NIST
Inp	700.00		NIST
Inp	671.00		NIST
Inp	675.00		NIST
Inp	666.00		NIST
Inp	671.00		NIST
Inp	666.00		NIST
Inp	666.00		NIST
Inp	675.00		NIST
Inp	Outlier 646.00		NIST
Inp	663.00		NIST
Inp	664.00		NIST
Inp	692.10		NIST
Inp	663.00		NIST
I	[1079.00; 1124.00]
I	1108.00		NIST
I	1100.00		NIST
I	1094.00		NIST
I	1108.00		NIST
I	1100.00		NIST
I	1094.00		NIST
I	1090.00		NIST
I	Outlier 1124.00		NIST
I	1079.00		NIST
I	1094.00		NIST
I	1118.00		NIST
I	1083.00		NIST
I	1089.00		NIST
I	1100.00		NIST
I	1089.00		NIST
I	1091.00		NIST
I	1094.00		NIST
I	1083.00		NIST
I	1089.00		NIST
S°gas	388.60 ± 3.80	J/mol×K	NIST
Tboil	[381.15; 388.15]	K
Tboil	385.20	K	NIST
Tboil	383.15 ± 2.00	K	NIST
Tboil	382.15 ± 2.00	K	NIST
Tboil	388.15 ± 2.00	K	NIST
Tboil	385.55 ± 1.00	K	NIST
Tboil	384.65 ± 1.00	K	NIST
Tboil	384.95 ± 0.50	K	NIST
Tboil	385.00 ± 1.00	K	NIST
Tboil	386.65 ± 1.00	K	NIST
Tboil	386.05 ± 0.50	K	NIST
Tboil	386.15 ± 3.00	K	NIST
Tboil	385.15 ± 1.50	K	NIST
Tboil	384.65 ± 2.00	K	NIST
Tboil	384.55 ± 0.50	K	NIST
Tboil	385.20 ± 1.00	K	NIST
Tboil	383.90 ± 1.50	K	NIST
Tboil	383.20 ± 2.00	K	NIST
Tboil	387.15 ± 1.00	K	NIST
Tboil	386.05 ± 1.00	K	NIST
Tboil	386.55 ± 0.70	K	NIST
Tboil	386.65 ± 2.00	K	NIST
Tboil	386.15 ± 2.00	K	NIST
Tboil	Outlier 381.15 ± 3.00	K	NIST
Tc	[556.10; 556.10]	K
Tc	556.10	K	KDB
Tc	556.10 ± 0.50	K	NIST
Tc	556.10 ± 0.70	K	NIST
Tfus	211.03	K	Relay (1.0) Calculated Property
Ttriple	131.50 ± 0.70	K	NIST
Vc	0.323	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[169.84; 218.33]	J/mol×K	[405.10; 574.03]
Cp,gas	169.84	J/mol×K	405.10	Joback Calculated Property
Cp,gas	178.73	J/mol×K	433.25	Joback Calculated Property
Cp,gas	187.29	J/mol×K	461.41	Joback Calculated Property
Cp,gas	195.52	J/mol×K	489.56	Joback Calculated Property
Cp,gas	203.43	J/mol×K	517.72	Joback Calculated Property
Cp,gas	211.03	J/mol×K	545.87	Joback Calculated Property
Cp,gas	218.33	J/mol×K	574.03	Joback Calculated Property
Cp,liquid	245.90	J/mol×K	298.15	NIST
Cp,solid	[64.32; 107.45]	J/mol×K	[84.80; 129.14]
Cp,solid	64.32	J/mol×K	84.80	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	64.92	J/mol×K	85.35	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	65.12	J/mol×K	86.61	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	65.91	J/mol×K	87.96	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	66.12	J/mol×K	88.50	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	66.46	J/mol×K	88.57	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	68.19	J/mol×K	89.76	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	68.52	J/mol×K	90.50	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	69.65	J/mol×K	91.72	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	69.50	J/mol×K	92.44	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	70.82	J/mol×K	93.66	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	70.42	J/mol×K	94.37	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	72.69	J/mol×K	95.60	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	72.33	J/mol×K	96.30	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	73.76	J/mol×K	97.54	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	73.35	J/mol×K	98.24	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	75.44	J/mol×K	99.48	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	75.01	J/mol×K	100.17	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	76.81	J/mol×K	101.42	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	76.45	J/mol×K	102.11	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	78.23	J/mol×K	103.37	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	77.94	J/mol×K	104.06	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	79.77	J/mol×K	105.32	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	79.31	J/mol×K	106.00	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	80.89	J/mol×K	107.95	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	82.57	J/mol×K	109.90	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	83.46	J/mol×K	110.42	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	82.24	J/mol×K	110.85	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	84.29	J/mol×K	111.85	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	84.44	J/mol×K	112.07	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	85.97	J/mol×K	113.80	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	86.22	J/mol×K	114.04	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	87.69	J/mol×K	115.76	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	87.96	J/mol×K	116.00	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	89.53	J/mol×K	117.71	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	91.40	J/mol×K	119.67	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	93.27	J/mol×K	121.44	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	93.55	J/mol×K	121.62	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	94.36	J/mol×K	122.07	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	95.77	J/mol×K	123.27	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	95.92	J/mol×K	123.58	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	98.99	J/mol×K	125.24	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	98.88	J/mol×K	125.53	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	102.70	J/mol×K	127.20	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	103.22	J/mol×K	127.49	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
Cp,solid	107.45	J/mol×K	129.14	Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
η	[0.0002739; 0.9991270]	Pa×s	[176.93; 405.10]
η	0.9991270	Pa×s	176.93	Joback Calculated Property
η	0.0759974	Pa×s	214.96	Joback Calculated Property
η	0.0125411	Pa×s	252.99	Joback Calculated Property
η	0.0033141	Pa×s	291.01	Joback Calculated Property
η	0.0011912	Pa×s	329.04	Joback Calculated Property
η	0.0005293	Pa×s	367.07	Joback Calculated Property
η	0.0002739	Pa×s	405.10	Joback Calculated Property
ΔvapH	[46.40; 52.70]	kJ/mol	[327.50; 341.00]
ΔvapH	49.00	kJ/mol	327.50	NIST
ΔvapH	46.40	kJ/mol	339.00	NIST
ΔvapH	52.70	kJ/mol	341.00	NIST
Pvap	[28.66; 99.33]	kPa	[352.84; 384.45]
Pvap	28.66	kPa	352.84	Vapor pressure of selected aliphatic alcohols by ebulliometry. Part 2
Pvap	32.00	kPa	355.33	Vapor pressure of selected aliphatic alcohols by ebulliometry. Part 2
Pvap	35.33	kPa	357.63	Vapor pressure of selected aliphatic alcohols by ebulliometry. Part 2
Pvap	38.66	kPa	359.76	Vapor pressure of selected aliphatic alcohols by ebulliometry. Part 2
Pvap	42.00	kPa	361.74	Vapor pressure of selected aliphatic alcohols by ebulliometry. Part 2
Pvap	45.33	kPa	363.60	Vapor pressure of selected aliphatic alcohols by ebulliometry. Part 2
Pvap	49.33	kPa	365.69	Vapor pressure of selected aliphatic alcohols by ebulliometry. Part 2
Pvap	53.33	kPa	367.65	Vapor pressure of selected aliphatic alcohols by ebulliometry. Part 2
Pvap	57.33	kPa	369.50	Vapor pressure of selected aliphatic alcohols by ebulliometry. Part 2
Pvap	61.33	kPa	371.24	Vapor pressure of selected aliphatic alcohols by ebulliometry. Part 2
Pvap	65.33	kPa	372.90	Vapor pressure of selected aliphatic alcohols by ebulliometry. Part 2
Pvap	70.66	kPa	374.99	Vapor pressure of selected aliphatic alcohols by ebulliometry. Part 2
Pvap	75.99	kPa	376.95	Vapor pressure of selected aliphatic alcohols by ebulliometry. Part 2
Pvap	81.33	kPa	378.81	Vapor pressure of selected aliphatic alcohols by ebulliometry. Part 2
Pvap	86.66	kPa	380.58	Vapor pressure of selected aliphatic alcohols by ebulliometry. Part 2
Pvap	91.99	kPa	382.26	Vapor pressure of selected aliphatic alcohols by ebulliometry. Part 2
Pvap	97.33	kPa	383.87	Vapor pressure of selected aliphatic alcohols by ebulliometry. Part 2
Pvap	99.33	kPa	384.45	Vapor pressure of selected aliphatic alcohols by ebulliometry. Part 2
n0	1.40700		298.15	Vapor-Liquid Equilibria in the Binary and Ternary Systems Composed of 2-Methylpentane, 3-Methyl-2-butanone and 3-Methyl-2-butanol
ρl	[804.35; 813.09]	kg/m3	[298.15; 308.15]
ρl	813.09	kg/m3	298.15	Excess molar enthalpies of the binary systems: (Dibutyl ether + isomers of pentanol) at T = (298.15 and 308.15) K
ρl	804.35	kg/m3	308.15	Excess molar enthalpies of the binary systems: (Dibutyl ether + isomers of pentanol) at T = (298.15 and 308.15) K

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.68]	kPa	[299.51; 406.60]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.40003e+01
Coefficient B			-2.53974e+03
Coefficient C			-1.14297e+02
Temperature range, min.			299.51
Temperature range, max.			406.60
Pvap	1.33	kPa	299.51	Calculated Property
Pvap	3.05	kPa	311.41	Calculated Property
Pvap	6.35	kPa	323.31	Calculated Property
Pvap	12.23	kPa	335.21	Calculated Property
Pvap	22.00	kPa	347.11	Calculated Property
Pvap	37.40	kPa	359.00	Calculated Property
Pvap	60.52	kPa	370.90	Calculated Property
Pvap	93.83	kPa	382.80	Calculated Property
Pvap	140.18	kPa	394.70	Calculated Property
Pvap	202.68	kPa	406.60	Calculated Property
Pvap	[2.21e-07; 4000.46]	kPa	[188.00; 574.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			2.03416e+02
Coefficient B			-1.39925e+04
Coefficient C			-2.76617e+01
Coefficient D			1.51147e-05
Temperature range, min.			188.00
Temperature range, max.			574.00
Pvap	2.21e-07	kPa	188.00	Calculated Property
Pvap	9.94e-04	kPa	230.89	Calculated Property
Pvap	0.16	kPa	273.78	Calculated Property
Pvap	4.36	kPa	316.67	Calculated Property
Pvap	39.19	kPa	359.56	Calculated Property
Pvap	179.93	kPa	402.44	Calculated Property
Pvap	538.86	kPa	445.33	Calculated Property
Pvap	1225.82	kPa	488.22	Calculated Property
Pvap	2338.83	kPa	531.11	Calculated Property
Pvap	4000.46	kPa	574.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Butanol, 3-methyl-.

Mixtures

• Carbon dioxide + 2-Butanol, 3-methyl-
• n-Butyl ether + 2-Butanol, 3-methyl-
• 2-Butanol, 3-methyl- + Water
• Pentane, 2-methyl- + 2-Butanol, 3-methyl-
• 2-Butanone, 3-methyl- + 2-Butanol, 3-methyl-
• 2-Butanone, 3-methyl- + Pentane, 2-methyl- + 2-Butanol, 3-methyl-

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Vapor pressure of selected aliphatic alcohols by ebulliometry. Part 2
• Measurement and modeling of high-pressure (vapor + liquid) equilibria of (CO2 + alkanol) binary systems
• Excess molar enthalpies of the binary systems: (Dibutyl ether + isomers of pentanol) at T = (298.15 and 308.15) K
• Partial Molar Heat Capacities and Partial Molar Volumes of All of the Isomeric (C3 to C5) Alkanols at Infinite Dilution in Water at 298.15 K
• Vapor-Liquid Equilibria in the Binary and Ternary Systems Composed of 2-Methylpentane, 3-Methyl-2-butanone and 3-Methyl-2-butanol
• Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
• Refined Flow Microcalorimetric Setup for Measurement of Mixing Enthalpies at High Dilutions: Determination of Infinite Dilution Dissolution Enthalpies of Some Alkanol and Ether Solutes in Water
• Temperature Dependence of Limiting Activity Coefficients, Henry s Law Constants, and Related Infinite Dilution Properties of Branched Pentanols in Water. Measurement, Critical Compilation, Correlation, and Recommended Data
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.