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

• 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
ΔfG°	-68.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-157.97	kJ/mol	Joback Calculated Property
ΔfusH°	5.40	kJ/mol	Joback Calculated Property
ΔvapH°	40.12	kJ/mol	Joback 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	-0.73		Crippen 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	548.41	K	Joback Calculated Property
Tfus	178.90	K	Joback Calculated Property
Vc	0.254	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[120.44; 156.40]	J/mol×K	[379.34; 548.41]
Cp,gas	120.44	J/mol×K	379.34	Joback Calculated Property
Cp,gas	127.10	J/mol×K	407.52	Joback Calculated Property
Cp,gas	133.47	J/mol×K	435.70	Joback Calculated Property
Cp,gas	139.59	J/mol×K	463.88	Joback Calculated Property
Cp,gas	145.44	J/mol×K	492.06	Joback Calculated Property
Cp,gas	151.04	J/mol×K	520.24	Joback Calculated Property
Cp,gas	156.40	J/mol×K	548.41	Joback Calculated Property
η	[0.0003283; 0.3700665]	Pa×s	[178.90; 379.34]
η	0.3700665	Pa×s	178.90	Joback Calculated Property
η	0.0456475	Pa×s	212.31	Joback Calculated Property
η	0.0099469	Pa×s	245.71	Joback Calculated Property
η	0.0031215	Pa×s	279.12	Joback Calculated Property
η	0.0012550	Pa×s	312.53	Joback Calculated Property
η	0.0006016	Pa×s	345.93	Joback Calculated Property
η	0.0003283	Pa×s	379.34	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[279.72; 391.55]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

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

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