Chemical Properties of 3-Buten-1-ol, 2-methyl- (CAS 4516-90-9)

InChI

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

InChI Key

NVGOATMUHKIQQG-UHFFFAOYSA-N

Formula

C5H10O

SMILES

C=CC(C)CO

Molecular Weight¹

86.13

CAS

4516-90-9

Other Names

• 2-Methyl-3-buten-1-ol
• 2-Methyl-3-butene-1-ol
• 2-Methyl-but-3-en-1-ol

• ω : Acentric Factor.
• 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).
• 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_boilr : Boiling point at reduced pressure (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	0.5153		Relay (1.0) Calculated Property
ΔfG°	-60.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-197.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.99	kJ/mol	Joback Calculated Property
ΔvapH°	55.11	kJ/mol	Relay (1.0) Calculated Property
IE	9.67	eV	Relay (1.0) Calculated Property
log10WS	-0.31		Relay (1.0) Calculated Property
logPoct/wat	0.801		Crippen Calculated Property
McVol	82.880	ml/mol	McGowan Calculated Property
Pc	4130.29	kPa	Joback Calculated Property
Inp	[778.00; 778.00]
Inp	778.00		NIST
Inp	778.00		NIST
Tboil	391.02	K	Relay (1.0) Calculated Property
Tc	568.07	K	Relay (1.0) Calculated Property
Tfus	174.18	K	Relay (1.0) Calculated Property
Vc	0.288	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[113.93; 267.98]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.03900e+00
Coefficient B			4.98720e-01
Coefficient C			-3.04700e-04
Coefficient D			7.50000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	113.93	J/mol×K	273.00	Calculated Property
Cp,gas	140.58	J/mol×K	353.78	Calculated Property
Cp,gas	164.30	J/mol×K	434.56	Calculated Property
Cp,gas	185.31	J/mol×K	515.33	Calculated Property
Cp,gas	203.87	J/mol×K	596.11	Calculated Property
Cp,gas	220.19	J/mol×K	676.89	Calculated Property
Cp,gas	234.53	J/mol×K	757.67	Calculated Property
Cp,gas	247.12	J/mol×K	838.44	Calculated Property
Cp,gas	258.19	J/mol×K	919.22	Calculated Property
Cp,gas	267.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.2702616; 0.0002954]	Pa×s	[190.17; 399.73]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.43151e+01
Coefficient B			2.47349e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			190.17
Temperature range, max.			399.73
η	0.2702616	Pa×s	190.17	Calculated Property
η	0.0654038	Pa×s	213.45	Calculated Property
η	0.0209233	Pa×s	236.74	Calculated Property
η	0.0082092	Pa×s	260.02	Calculated Property
η	0.0037563	Pa×s	283.31	Calculated Property
η	0.0019355	Pa×s	306.59	Calculated Property
η	0.0010952	Pa×s	329.87	Calculated Property
η	0.0006680	Pa×s	353.16	Calculated Property
η	0.0004332	Pa×s	376.44	Calculated Property
η	0.0002954	Pa×s	399.73	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[298.52; 416.16]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.58989e+01
Coefficient B			-3.87055e+03
Coefficient C			-5.05850e+01
Temperature range, min.			298.52
Temperature range, max.			416.16
Pvap	1.33	kPa	298.52	Calculated Property
Pvap	2.91	kPa	311.59	Calculated Property
Pvap	5.91	kPa	324.66	Calculated Property
Pvap	11.24	kPa	337.73	Calculated Property
Pvap	20.22	kPa	350.80	Calculated Property
Pvap	34.62	kPa	363.88	Calculated Property
Pvap	56.78	kPa	376.95	Calculated Property
Pvap	89.65	kPa	390.02	Calculated Property
Pvap	136.83	kPa	403.09	Calculated Property
Pvap	202.63	kPa	416.16	Calculated Property

Similar Compounds

Find more compounds similar to 3-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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