Chemical Properties of 2-Buten-1-ol, 2-methyl- (CAS 4675-87-0)

InChI

InChI=1S/C5H10O/c1-3-5(2)4-6/h3,6H,4H2,1-2H3/b5-3-

InChI Key

NEJDKFPXHQRVMV-HYXAFXHYSA-N

Formula

C5H10O

SMILES

CC=C(C)CO

Molecular Weight¹

86.13

CAS

4675-87-0

Other Names

• 2-Methyl-2-buten-1-ol
• 2-Methyl-2-butenol
• 2-Methyl-but-2-ene-1-ol
• 2-Methylbut-2-en-1-ol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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	0.5155		Relay (1.0) Calculated Property
ΔfG°	-73.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-219.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.69	kJ/mol	Joback Calculated Property
ΔvapH°	57.82	kJ/mol	Relay (1.0) Calculated Property
IE	8.85	eV	Relay (1.0) Calculated Property
log10WS	-0.50		Relay (1.0) Calculated Property
logPoct/wat	0.945		Crippen Calculated Property
McVol	82.880	ml/mol	McGowan Calculated Property
Pc	4167.71	kPa	Joback Calculated Property
Inp	[754.00; 772.00]
Inp	766.00		NIST
Inp	766.00		NIST
Inp	766.00		NIST
Inp	772.00		NIST
Inp	754.00		NIST
I	[1308.00; 1333.00]
I	1320.00		NIST
I	1320.00		NIST
I	1322.00		NIST
I	1322.00		NIST
I	1311.00		NIST
I	1315.00		NIST
I	1324.00		NIST
I	1320.00		NIST
I	1318.00		NIST
I	1332.00		NIST
I	1328.00		NIST
I	1316.00		NIST
I	1309.00		NIST
I	1327.00		NIST
I	1333.00		NIST
I	1315.00		NIST
I	1308.00		NIST
I	1316.00		NIST
I	1325.00		NIST
I	1315.00		NIST
I	1329.00		NIST
I	1333.00		NIST
I	1325.00		NIST
Tboil	408.38	K	Relay (1.0) Calculated Property
Tc	587.68	K	Relay (1.0) Calculated Property
Tfus	209.91	K	Relay (1.0) Calculated Property
Vc	0.289	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[154.28; 197.63]	J/mol×K	[410.02; 582.88]
Cp,gas	154.28	J/mol×K	410.02	Joback Calculated Property
Cp,gas	162.38	J/mol×K	438.83	Joback Calculated Property
Cp,gas	170.11	J/mol×K	467.64	Joback Calculated Property
Cp,gas	177.48	J/mol×K	496.45	Joback Calculated Property
Cp,gas	184.52	J/mol×K	525.26	Joback Calculated Property
Cp,gas	191.23	J/mol×K	554.07	Joback Calculated Property
Cp,gas	197.63	J/mol×K	582.88	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[314.52; 415.33]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.81944e+01
Coefficient B			-4.62916e+03
Coefficient C			-5.60060e+01
Temperature range, min.			314.52
Temperature range, max.			415.33
Pvap	1.33	kPa	314.52	Calculated Property
Pvap	2.80	kPa	325.72	Calculated Property
Pvap	5.56	kPa	336.92	Calculated Property
Pvap	10.46	kPa	348.12	Calculated Property
Pvap	18.78	kPa	359.32	Calculated Property
Pvap	32.34	kPa	370.53	Calculated Property
Pvap	53.64	kPa	381.73	Calculated Property
Pvap	86.04	kPa	392.93	Calculated Property
Pvap	133.88	kPa	404.13	Calculated Property
Pvap	202.64	kPa	415.33	Calculated Property

Similar Compounds

Find more compounds similar to 2-Buten-1-ol, 2-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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