Chemical Properties of 3-Buten-2-ol, 2-methyl- (CAS 115-18-4)

InChI

InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3

InChI Key

HNVRRHSXBLFLIG-UHFFFAOYSA-N

Formula

C5H10O

SMILES

C=CC(C)(C)O

Molecular Weight¹

86.13

CAS

115-18-4

Other Names

• 1,1-Dimethyl-2-propen-1-ol
• 1,1-Dimethyl-2-propenol
• 1,1-Dimethyl-2-propenyl alcohol
• 1,1-Dimethylallyl alcohol
• 1-Buten-3-ol, 3-methyl-
• 2-Methyl but-3-ene-2-ol
• 2-Methyl-2-hydroxy-3-butene
• 2-Methyl-3-buten-2-ol
• 2-Methyl-3-buten-2-yl alcohol
• 2-Methyl-3-butene-2-ol
• 2-Methylbut-3-en-2-ol
• 3-Hydroxy-3-methyl-1-butene
• 3-Hydroxy-3-methylbutene
• 3-Methyl-1-buten-3-ol
• 3-Methyl-1-butene-3-ol
• 3-Methyl-buten-(1)-ol-(3)
• CH2=CHC(CH3)2OH
• Dimethylvinylcarbinol
• Dimethylvinylmethanol
• NSC 15977
• Vinyldimethylcarbinol
• «alpha»,«alpha»-Dimethylallyl alcohol
• «alpha»,«alpha»-Dimethylallyl alcohol

• 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).
• 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).
• 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
ΔcH°liquid	-3215.00 ± 0.90	kJ/mol	NIST
ΔfG°	-54.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-182.08	kJ/mol	Joback Calculated Property
ΔfH°liquid	-181.70 ± 0.90	kJ/mol	NIST
ΔfusH°	0.17	kJ/mol	Compreh...
ΔvapH°	41.44	kJ/mol	Joback Calculated Property
IE	9.90	eV	NIST
log10WS	-1.14		Crippen Calculated Property
logPoct/wat	0.943		Crippen Calculated Property
McVol	82.880	ml/mol	McGowan Calculated Property
Pc	4189.32	kPa	Joback Calculated Property
Inp	[592.00; 629.00]
Inp	606.00		NIST
Inp	592.00		NIST
Inp	620.00		NIST
Inp	611.00		NIST
Inp	620.00		NIST
Inp	603.20		NIST
Inp	601.00		NIST
Inp	608.00		NIST
Inp	614.00		NIST
Inp	623.70		NIST
Inp	602.00		NIST
Inp	611.00		NIST
Inp	614.00		NIST
Inp	602.00		NIST
Inp	603.00		NIST
Inp	612.00		NIST
Inp	593.00		NIST
Inp	593.00		NIST
Inp	597.00		NIST
Inp	606.00		NIST
Inp	Outlier 629.00		NIST
Inp	606.00		NIST
Inp	600.00		NIST
Inp	600.00		NIST
Inp	608.00		NIST
Inp	614.00		NIST
Inp	593.00		NIST
I	[1005.00; 1078.00]
I	1036.00		NIST
I	1025.00		NIST
I	1037.00		NIST
I	1031.00		NIST
I	1031.00		NIST
I	1037.00		NIST
I	1031.00		NIST
I	1038.00		NIST
I	1051.00		NIST
I	1022.00		NIST
I	1021.00		NIST
I	1035.00		NIST
I	1040.00		NIST
I	1040.00		NIST
I	1036.00		NIST
I	1026.00		NIST
I	1027.00		NIST
I	1026.00		NIST
I	1046.00		NIST
I	1060.00		NIST
I	1026.00		NIST
I	1028.00		NIST
I	1051.00		NIST
I	1036.00		NIST
I	1008.00		NIST
I	1064.00		NIST
I	1058.00		NIST
I	1043.00		NIST
I	1041.00		NIST
I	Outlier 1075.00		NIST
I	Outlier 1005.00		NIST
I	1016.00		NIST
I	1038.00		NIST
I	1063.00		NIST
I	1048.00		NIST
I	1064.00		NIST
I	1064.00		NIST
I	1064.00		NIST
I	1048.00		NIST
I	Outlier 1078.00		NIST
I	1048.00		NIST
I	1035.00		NIST
I	1044.00		NIST
I	1055.00		NIST
I	1023.00		NIST
I	1020.00		NIST
Tboil	371.70	K	NIST
Tc	574.89	K	Joback Calculated Property
Tfus	[230.15; 234.15]	K
Tfus	234.15 ± 1.50	K	NIST
Tfus	230.15 ± 1.50	K	NIST
Vc	0.304	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[157.15; 203.40]	J/mol×K	[399.43; 574.89]
Cp,gas	157.15	J/mol×K	399.43	Joback Calculated Property
Cp,gas	166.00	J/mol×K	428.67	Joback Calculated Property
Cp,gas	174.36	J/mol×K	457.92	Joback Calculated Property
Cp,gas	182.26	J/mol×K	487.16	Joback Calculated Property
Cp,gas	189.72	J/mol×K	516.40	Joback Calculated Property
Cp,gas	196.76	J/mol×K	545.65	Joback Calculated Property
Cp,gas	203.40	J/mol×K	574.89	Joback Calculated Property
Cp,liquid	[240.70; 241.20]	J/mol×K	[298.05; 298.05]
Cp,liquid	241.20	J/mol×K	298.05	NIST
Cp,liquid	240.70	J/mol×K	298.05	NIST
η	[0.0003305; 0.1614936]	Pa×s	[207.59; 399.43]
η	0.1614936	Pa×s	207.59	Joback Calculated Property
η	0.0289005	Pa×s	239.56	Joback Calculated Property
η	0.0077559	Pa×s	271.54	Joback Calculated Property
η	0.0027461	Pa×s	303.51	Joback Calculated Property
η	0.0011851	Pa×s	335.48	Joback Calculated Property
η	0.0005920	Pa×s	367.46	Joback Calculated Property
η	0.0003305	Pa×s	399.43	Joback Calculated Property
ΔvapH	43.10 ± 0.10	kJ/mol	331.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[280.92; 427.04]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.34410e+01
Coefficient B			-3.11014e+03
Coefficient C			-4.44690e+01
Temperature range, min.			280.92
Temperature range, max.			427.04
Pvap	1.33	kPa	280.92	Calculated Property
Pvap	3.10	kPa	297.16	Calculated Property
Pvap	6.53	kPa	313.39	Calculated Property
Pvap	12.61	kPa	329.63	Calculated Property
Pvap	22.69	kPa	345.86	Calculated Property
Pvap	38.45	kPa	362.10	Calculated Property
Pvap	61.89	kPa	378.33	Calculated Property
Pvap	95.34	kPa	394.57	Calculated Property
Pvap	141.33	kPa	410.80	Calculated Property
Pvap	202.64	kPa	427.04	Calculated Property

Similar Compounds

Find more compounds similar to 3-Buten-2-ol, 2-methyl-.

Mixtures

• Propane + 3-Buten-2-ol, 2-methyl-
• Propene + 3-Buten-2-ol, 2-methyl-
• Butane + 3-Buten-2-ol, 2-methyl-
• 3-Buten-2-ol, 2-methyl- + Isobutane
• 1-Butene + 3-Buten-2-ol, 2-methyl-
• 1-Propene, 2-methyl- + 3-Buten-2-ol, 2-methyl-
• 2-Butene, (E)- + 3-Buten-2-ol, 2-methyl-
• 2-Butene, (Z)- + 3-Buten-2-ol, 2-methyl-
• 1,3-Butadiene + 3-Buten-2-ol, 2-methyl-
• Dimethyl ether + 3-Buten-2-ol, 2-methyl-
• Ethyl Chloride + 3-Buten-2-ol, 2-methyl-
• Ethane, 1,1-difluoro- + 3-Buten-2-ol, 2-methyl-
• 3-Buten-2-ol, 2-methyl- + Water

Sources

• Crippen Method
• Crippen Method
• Comprehensive study of the thermodynamic properties for 2-methyl-3-buten-2-ol
• Henry s Law Constants and Infinite Dilution Activity Coefficients of Propane, Propene, Butane, 2-Methylpropane, 1-Butene, 2-Methylpropene, trans-2-Butene, cis-2-Butene, 1,3-Butadiene, Dimethyl Ether, Chloroethane, and 1,1-Difluoroethane in 2-Methyl-3-buten-2-ol and 3-Methyl-3-buten-1-ol
• Green Leaf Volatiles on Atmospheric Air/Water Interfaces: A Combined Experimental and Molecular Simulation Study
• 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.