Chemical Properties of 3-Buten-2-ol (CAS 598-32-3)

InChI

InChI=1S/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3

InChI Key

MKUWVMRNQOOSAT-UHFFFAOYSA-N

Formula

C4H8O

SMILES

C=CC(C)O

Molecular Weight¹

72.11

CAS

598-32-3

Other Names

• 1-Buten-3-ol
• 1-Methyl-2-propenol
• 3-Butene-2-ol
• 3-Hydroxy-1-butene
• CH2=CHCH(OH)CH3
• Methyl vinylcarbinol
• Propenol, 1-methyl
• but-3-en-2-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_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	0.4901		Relay (1.0) Calculated Property
ΔfG°	-68.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-179.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	5.40	kJ/mol	Joback Calculated Property
ΔvapH°	47.16	kJ/mol	Relay (1.0) Calculated Property
IE	[9.50; 10.05]	eV
IE	9.53	eV	NIST
IE	9.50	eV	NIST
IE	9.50 ± 0.05	eV	NIST
IE	10.05	eV	NIST
log10WS	0.38		Relay (1.0) Calculated Property
logPoct/wat	0.553		Crippen Calculated Property
McVol	68.790	ml/mol	McGowan Calculated Property
Pc	4691.31	kPa	Joback Calculated Property
Inp	[542.00; 543.00]
Inp	542.00		NIST
Inp	543.00		NIST
Tboil	[370.15; 370.20]	K
Tboil	370.20	K	NIST
Tboil	370.15 ± 1.50	K	NIST
Tc	507.36	K	Relay (1.0) Calculated Property
Tfus	185.95	K	Relay (1.0) Calculated Property
Vc	0.256	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[92.71; 216.39]	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			-1.30000e-01
Coefficient B			4.03720e-01
Coefficient C			-2.50300e-04
Coefficient D			6.31000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	92.71	J/mol×K	273.00	Calculated Property
Cp,gas	114.16	J/mol×K	353.78	Calculated Property
Cp,gas	133.22	J/mol×K	434.56	Calculated Property
Cp,gas	150.08	J/mol×K	515.33	Calculated Property
Cp,gas	164.95	J/mol×K	596.11	Calculated Property
Cp,gas	178.03	J/mol×K	676.89	Calculated Property
Cp,gas	189.51	J/mol×K	757.67	Calculated Property
Cp,gas	199.60	J/mol×K	838.44	Calculated Property
Cp,gas	208.49	J/mol×K	919.22	Calculated Property
Cp,gas	216.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.3700665; 0.0003038]	Pa×s	[178.90; 384.09]	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			-1.42938e+01
Coefficient B			2.37933e+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.			178.90
Temperature range, max.			384.09
η	0.3700665	Pa×s	178.90	Calculated Property
η	0.0822969	Pa×s	201.70	Calculated Property
η	0.0248370	Pa×s	224.50	Calculated Property
η	0.0093486	Pa×s	247.30	Calculated Property
η	0.0041499	Pa×s	270.10	Calculated Property
η	0.0020904	Pa×s	292.90	Calculated Property
η	0.0011626	Pa×s	315.70	Calculated Property
η	0.0006998	Pa×s	338.49	Calculated Property
η	0.0004491	Pa×s	361.29	Calculated Property
η	0.0003038	Pa×s	384.09	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[279.72; 391.55]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.58984e+01
Coefficient B			-3.67896e+03
Coefficient C			-4.40520e+01
Temperature range, min.			279.72
Temperature range, max.			391.55
Pvap	1.33	kPa	279.72	Calculated Property
Pvap	2.91	kPa	292.15	Calculated Property
Pvap	5.91	kPa	304.57	Calculated Property
Pvap	11.24	kPa	317.00	Calculated Property
Pvap	20.22	kPa	329.42	Calculated Property
Pvap	34.62	kPa	341.85	Calculated Property
Pvap	56.78	kPa	354.27	Calculated Property
Pvap	89.65	kPa	366.70	Calculated Property
Pvap	136.83	kPa	379.12	Calculated Property
Pvap	202.63	kPa	391.55	Calculated Property

Similar Compounds

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

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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