Chemical Properties of 2-Propen-1-ol, 2-methyl- (CAS 513-42-8)

InChI

InChI=1S/C4H8O/c1-4(2)3-5/h5H,1,3H2,2H3

InChI Key

BYDRTKVGBRTTIT-UHFFFAOYSA-N

Formula

C4H8O

SMILES

C=C(C)CO

Molecular Weight¹

72.11

CAS

513-42-8

Other Names

• 2-Methallyl alcohol
• 2-Methyl-2-propen-1-ol
• 2-Methyl-2-propene-1-ol
• 2-Methyl-2-propenol
• 2-Methylallyl alcohol
• 2-Methylprop-2-en-1-ol
• 3-Hydroxy-2-methylpropene
• CH2=C(CH3)CH2OH
• Isopropenyl carbinol
• Methacryl alcohol
• Methallyl alcohol
• NSC 30674
• UN 2614
• «beta»-Methallyl alcohol
• «beta»-Methylallyl alcohol
• «beta»-Methallyl alcohol
• «beta»-Methylallyl alcohol

• 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.
• 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°	-74.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-162.48	kJ/mol	Joback Calculated Property
ΔfusH°	7.61	kJ/mol	Joback Calculated Property
ΔvapH°	51.90	kJ/mol	NIST
IE	[9.24; 9.28]	eV
IE	9.24	eV	NIST
IE	9.28 ± 0.05	eV	NIST
log10WS	-0.61		Crippen Calculated Property
logPoct/wat	0.555		Crippen Calculated Property
McVol	68.790	ml/mol	McGowan Calculated Property
Pc	4672.09	kPa	Joback Calculated Property
Inp	[605.00; 633.00]
Inp	605.00		NIST
Inp	607.00		NIST
Inp	633.00		NIST
Tboil	387.70	K	NIST
Tc	548.15	K	Joback Calculated Property
Tfus	179.94	K	Joback Calculated Property
Vc	0.261	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[120.49; 155.71]	J/mol×K	[379.66; 548.15]
Cp,gas	120.49	J/mol×K	379.66	Joback Calculated Property
Cp,gas	127.00	J/mol×K	407.74	Joback Calculated Property
Cp,gas	133.24	J/mol×K	435.82	Joback Calculated Property
Cp,gas	139.22	J/mol×K	463.91	Joback Calculated Property
Cp,gas	144.95	J/mol×K	491.99	Joback Calculated Property
Cp,gas	150.45	J/mol×K	520.07	Joback Calculated Property
Cp,gas	155.71	J/mol×K	548.15	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[293.46; 409.97]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.58560e+01
Coefficient B			-3.80711e+03
Coefficient C			-4.89170e+01
Temperature range, min.			293.46
Temperature range, max.			409.97
Pvap	1.33	kPa	293.46	Calculated Property
Pvap	2.92	kPa	306.41	Calculated Property
Pvap	5.92	kPa	319.35	Calculated Property
Pvap	11.26	kPa	332.30	Calculated Property
Pvap	20.25	kPa	345.24	Calculated Property
Pvap	34.67	kPa	358.19	Calculated Property
Pvap	56.86	kPa	371.13	Calculated Property
Pvap	89.74	kPa	384.08	Calculated Property
Pvap	136.91	kPa	397.02	Calculated Property
Pvap	202.65	kPa	409.97	Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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