Chemical Properties of 2-Buten-1-ol (CAS 6117-91-5)

InChI

InChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3

InChI Key

WCASXYBKJHWFMY-UHFFFAOYSA-N

Formula

C4H8O

SMILES

CC=CCO

Molecular Weight¹

72.11

CAS

6117-91-5

Other Names

• 1-Hydroxy-2-butene
• 2-Butene-1-ol
• 2-Butenol
• 2-Butenyl alcohol
• 2-buten-1-ol (crotyl alcohol)
• 3-Methylallyl alcohol
• CH3CH=CHCH2OH
• Crotonyl alcohol
• Crotyl alcohol
• Krotylalkohol
• NSC 17480
• but-2-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).
• 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_p : 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	0.5194		Relay (1.0) Calculated Property
ΔfG°	-73.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-184.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.41	kJ/mol	Joback Calculated Property
ΔvapH°	54.24	kJ/mol	Relay (1.0) Calculated Property
IE	9.13	eV	NIST
logPoct/wat	0.555		Crippen Calculated Property
McVol	68.790	ml/mol	McGowan Calculated Property
Pc	4704.19	kPa	Joback Calculated Property
Inp	[625.00; 664.00]
Inp	628.00		NIST
Inp	625.00		NIST
Inp	664.00		NIST
Inp	657.00		NIST
Inp	653.00		NIST
Inp	664.00		NIST
Inp	664.00		NIST
Inp	650.00		NIST
Ip	[1193.00; 1193.00]
Ip	1193.00		NIST
Ip	1193.00		NIST
Tboil	394.70	K	NIST
Tc	577.87	K	Relay (1.0) Calculated Property
Tfus	204.20	K	Relay (1.0) Calculated Property
Vc	0.236	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[88.84; 213.78]	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			-9.63900e+00
Coefficient B			4.37820e-01
Coefficient C			-3.08000e-04
Coefficient D			9.36000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	88.84	J/mol×K	273.00	Calculated Property
Cp,gas	110.85	J/mol×K	353.78	Calculated Property
Cp,gas	130.14	J/mol×K	434.56	Calculated Property
Cp,gas	147.00	J/mol×K	515.33	Calculated Property
Cp,gas	161.73	J/mol×K	596.11	Calculated Property
Cp,gas	174.63	J/mol×K	676.89	Calculated Property
Cp,gas	185.98	J/mol×K	757.67	Calculated Property
Cp,gas	196.10	J/mol×K	838.44	Calculated Property
Cp,gas	205.26	J/mol×K	919.22	Calculated Property
Cp,gas	213.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.1526839; 0.0002535]	Pa×s	[190.58; 390.48]	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			-1.43828e+01
Coefficient B			2.38291e+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.			190.58
Temperature range, max.			390.48
η	0.1526839	Pa×s	190.58	Calculated Property
η	0.0413991	Pa×s	212.79	Calculated Property
η	0.0143658	Pa×s	235.00	Calculated Property
η	0.0059849	Pa×s	257.21	Calculated Property
η	0.0028657	Pa×s	279.42	Calculated Property
η	0.0015294	Pa×s	301.64	Calculated Property
η	0.0008896	Pa×s	323.85	Calculated Property
η	0.0005548	Pa×s	346.06	Calculated Property
η	0.0003662	Pa×s	368.27	Calculated Property
η	0.0002535	Pa×s	390.48	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[299.32; 417.21]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.58995e+01
Coefficient B			-3.87890e+03
Coefficient C			-5.08630e+01
Temperature range, min.			299.32
Temperature range, max.			417.21
Pvap	1.33	kPa	299.32	Calculated Property
Pvap	2.91	kPa	312.42	Calculated Property
Pvap	5.91	kPa	325.52	Calculated Property
Pvap	11.24	kPa	338.62	Calculated Property
Pvap	20.22	kPa	351.72	Calculated Property
Pvap	34.62	kPa	364.81	Calculated Property
Pvap	56.79	kPa	377.91	Calculated Property
Pvap	89.66	kPa	391.01	Calculated Property
Pvap	136.85	kPa	404.11	Calculated Property
Pvap	202.65	kPa	417.21	Calculated Property

Similar Compounds

Find more compounds similar to 2-Buten-1-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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