Chemical Properties of Furan, 2-methyl- (CAS 534-22-5)

InChI

InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3

InChI Key

VQKFNUFAXTZWDK-UHFFFAOYSA-N

Formula

C5H6O

SMILES

Cc1ccco1

Molecular Weight¹

82.10

CAS

534-22-5

Other Names

• 2-Methylfurane
• 2-methylfuran
• 2-methyloxole
• 5-methylfuran
• Methylfuran
• UN 2301
• silvan
• sylvan
• «alpha»-Methylfuran

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	[0.2658; 0.2700]
ω	0.2658		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.2700		KDB
PAff	865.90	kJ/mol	NIST
BasG	833.50	kJ/mol	NIST
μ	0.70	debye	KDB
ΔvapH°	32.20	kJ/mol	NIST
IE	[8.31; 8.57]	eV
IE	8.38 ± 0.01	eV	NIST
IE	8.38	eV	NIST
IE	Outlier 8.57	eV	NIST
IE	8.38	eV	NIST
IE	8.39 ± 0.01	eV	NIST
IE	8.39 ± 0.01	eV	NIST
IE	8.31 ± 0.09	eV	NIST
IE	8.37	eV	NIST
IE	8.54	eV	NIST
IE	8.37 ± 0.05	eV	NIST
logPoct/wat	1.588		Crippen Calculated Property
McVol	67.720	ml/mol	McGowan Calculated Property
Pc	[4700.00; 4723.00]	kPa
Pc	4700.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Pc	4723.00	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	4720.00	kPa	KDB
Pc	4720.00 ± 103.40	kPa	NIST
Inp	[580.00; 633.00]
Inp	594.00		NIST
Inp	593.00		NIST
Inp	595.00		NIST
Inp	590.00		NIST
Inp	595.00		NIST
Inp	595.00		NIST
Inp	604.00		NIST
Inp	605.00		NIST
Inp	605.00		NIST
Inp	604.00		NIST
Inp	600.00		NIST
Inp	Outlier 629.00		NIST
Inp	609.00		NIST
Inp	609.00		NIST
Inp	615.00		NIST
Inp	608.00		NIST
Inp	Outlier 633.00		NIST
Inp	610.00		NIST
Inp	602.00		NIST
Inp	585.00		NIST
Inp	595.00		NIST
Inp	582.00		NIST
Inp	603.00		NIST
Inp	615.00		NIST
Inp	616.00		NIST
Inp	608.00		NIST
Inp	613.00		NIST
Inp	Outlier 626.10		NIST
Inp	595.00		NIST
Inp	619.00		NIST
Inp	605.00		NIST
Inp	615.00		NIST
Inp	594.00		NIST
Inp	589.00		NIST
Inp	606.00		NIST
Inp	599.00		NIST
Inp	598.00		NIST
Inp	603.00		NIST
Inp	594.00		NIST
Inp	614.00		NIST
Inp	606.00		NIST
Inp	606.00		NIST
Inp	606.00		NIST
Inp	595.00		NIST
Inp	Outlier 580.00		NIST
Inp	591.00		NIST
Inp	591.00		NIST
Inp	585.00		NIST
Inp	589.00		NIST
Inp	593.00		NIST
Inp	605.00		NIST
Inp	609.00		NIST
Inp	610.00		NIST
Inp	608.00		NIST
Inp	603.00		NIST
Inp	594.00		NIST
Inp	595.00		NIST
Ip	[817.00; 898.00]
Ip	850.00		NIST
Ip	875.00		NIST
Ip	858.00		NIST
Ip	870.00		NIST
Ip	872.00		NIST
Ip	871.00		NIST
Ip	880.00		NIST
Ip	876.00		NIST
Ip	866.00		NIST
Ip	832.00		NIST
Ip	871.00		NIST
Ip	Outlier 817.00		NIST
Ip	838.00		NIST
Ip	843.00		NIST
Ip	876.00		NIST
Ip	874.00		NIST
Ip	872.00		NIST
Ip	873.00		NIST
Ip	898.00		NIST
Ip	837.00		NIST
Ip	838.00		NIST
Ip	838.00		NIST
Ip	838.00		NIST
Ip	839.00		NIST
Ip	839.00		NIST
Ip	868.00		NIST
Ip	881.00		NIST
Ip	888.00		NIST
Ip	877.00		NIST
Ip	832.00		NIST
Ip	858.00		NIST
Ip	858.00		NIST
Ip	870.00		NIST
Ip	863.00		NIST
Ip	872.00		NIST
Ip	894.00		NIST
Ip	864.00		NIST
Ip	876.00		NIST
Ip	856.00		NIST
Ip	872.00		NIST
Ip	876.00		NIST
Ip	876.00		NIST
Ip	866.00		NIST
Ip	853.00		NIST
Ip	Outlier 817.00		NIST
Ip	871.00		NIST
Ip	866.00		NIST
Ip	866.00		NIST
Ip	872.00		NIST
Ip	Outlier 817.00		NIST
S°liquid	213.89	J/mol×K	NIST
Tboil	[336.00; 338.00]	K
Tboil	338.00	K	KDB
Tboil	337.70	K	NIST
Tboil	336.15 ± 2.00	K	NIST
Tboil	338.00 ± 6.00	K	NIST
Tboil	337.15 ± 1.50	K	NIST
Tboil	336.65 ± 1.00	K	NIST
Tboil	337.65 ± 1.50	K	NIST
Tboil	337.00 ± 2.00	K	NIST
Tboil	336.00 ± 2.00	K	NIST
Tboil	336.90 ± 0.60	K	NIST
Tboil	337.65 ± 2.00	K	NIST
Tc	[527.00; 528.00]	K
Tc	528.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Tc	527.59	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	527.00	K	KDB
Tc	528.00 ± 2.00	K	NIST
Tfus	184.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Ttriple	[181.90; 181.91]	K
Ttriple	181.91	K	Staveley, Lobo and Calado (1981), triple points Compiled value
Ttriple	181.90 ± 0.10	K	NIST
Ttriple	181.90 ± 0.20	K	NIST
Ttriple	181.90 ± 0.10	K	NIST
Vc	[0.246; 0.247]	m3/kmol
Vc	0.247	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Vc	0.246	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.247	m3/kmol	KDB
Vc	0.247 ± 0.005	m3/kmol	NIST
Zc	[0.2640000; 0.2660670]
Zc	0.2640000		IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Zc	0.2660670		KDB

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	143.72	J/mol×K	298.15	NIST
ΔfusH	[8.55; 8.55]	kJ/mol	[181.90; 181.90]
ΔfusH	8.55	kJ/mol	181.90	NIST
ΔfusH	8.55	kJ/mol	181.90	NIST
ΔfusH	8.55	kJ/mol	181.90	NIST
ΔfusH	8.55	kJ/mol	181.90	NIST
ΔfusH	8.55	kJ/mol	181.90	NIST
ΔfusH	8.55	kJ/mol	181.90	NIST
ΔvapH	[30.90; 34.40]	kJ/mol	[294.50; 353.00]
ΔvapH	34.40	kJ/mol	294.50	NIST
ΔvapH	32.50	kJ/mol	295.50	NIST
ΔvapH	32.40	kJ/mol	313.00	NIST
ΔvapH	31.50	kJ/mol	324.00	NIST
ΔvapH	30.90	kJ/mol	353.00	NIST
Pvap	[161.80; 676.70]	kPa	[353.80; 409.00]
Pvap	161.80	kPa	353.80	Isothermal vapor liquid equilibrium for binary mixtures containing furfural and its derivatives
Pvap	162.60	kPa	353.80	Isothermal vapor liquid equilibrium for binary mixtures containing furfural and its derivatives
Pvap	181.50	kPa	357.50	Isothermal vapor liquid equilibrium for binary mixtures containing furfural and its derivatives
Pvap	181.70	kPa	357.50	Isothermal vapor liquid equilibrium for binary mixtures containing furfural and its derivatives
Pvap	186.50	kPa	358.30	Isothermal vapor liquid equilibrium for binary mixtures containing furfural and its derivatives
Pvap	210.50	kPa	362.40	Isothermal vapor liquid equilibrium for binary mixtures containing furfural and its derivatives
Pvap	211.10	kPa	362.50	Isothermal vapor liquid equilibrium for binary mixtures containing furfural and its derivatives
Pvap	214.90	kPa	363.10	Isothermal vapor liquid equilibrium for binary mixtures containing furfural and its derivatives
Pvap	242.10	kPa	367.20	Isothermal vapor liquid equilibrium for binary mixtures containing furfural and its derivatives
Pvap	242.70	kPa	367.40	Isothermal vapor liquid equilibrium for binary mixtures containing furfural and its derivatives
Pvap	246.00	kPa	367.90	Isothermal vapor liquid equilibrium for binary mixtures containing furfural and its derivatives
Pvap	285.30	kPa	373.40	Isothermal vapor liquid equilibrium for binary mixtures containing furfural and its derivatives
Pvap	286.40	kPa	373.60	Isothermal vapor liquid equilibrium for binary mixtures containing furfural and its derivatives
Pvap	288.40	kPa	373.90	Isothermal vapor liquid equilibrium for binary mixtures containing furfural and its derivatives
Pvap	527.60	kPa	398.20	Isothermal vapor liquid equilibrium for binary mixtures containing furfural and its derivatives
Pvap	530.30	kPa	398.40	Isothermal vapor liquid equilibrium for binary mixtures containing furfural and its derivatives
Pvap	533.80	kPa	398.80	Isothermal vapor liquid equilibrium for binary mixtures containing furfural and its derivatives
Pvap	587.60	kPa	403.00	Isothermal vapor liquid equilibrium for binary mixtures containing furfural and its derivatives
Pvap	591.70	kPa	403.20	Isothermal vapor liquid equilibrium for binary mixtures containing furfural and its derivatives
Pvap	592.30	kPa	403.30	Isothermal vapor liquid equilibrium for binary mixtures containing furfural and its derivatives
Pvap	667.20	kPa	408.40	Isothermal vapor liquid equilibrium for binary mixtures containing furfural and its derivatives
Pvap	670.20	kPa	408.60	Isothermal vapor liquid equilibrium for binary mixtures containing furfural and its derivatives
Pvap	676.70	kPa	409.00	Isothermal vapor liquid equilibrium for binary mixtures containing furfural and its derivatives
ρl	[910.73; 916.70]	kg/m3	[293.00; 298.15]
ρl	913.00	kg/m3	293.00	KDB
ρl	916.70	kg/m3	295.00	High-pressure vapor-liquid equilibria of the second generation biofuel blends (2-methylfuran + iso-octane) and (2-methyltetrahydrofuran + di-n-butyl ether): Experiments and PCP-SAFT modeling
ρl	910.73	kg/m3	298.15	Excess volumes and partial molar volumes of binary liquid mixtures of furfural or 2-methylfuran with alcohols at 298.15 K
ΔfusS	[47.01; 47.01]	J/mol×K	[181.90; 181.90]
ΔfusS	47.01	J/mol×K	181.90	NIST
ΔfusS	47.01	J/mol×K	181.90	NIST

Datasets

Mass density, kg/m3

Fixed		Measured
Pressure, kPa - Liquid	Temperature, K - Liquid	Mass density, kg/m3 - Liquid
100.00	283.15	928.13
100.00	288.15	922.18
100.00	293.15	916.2
100.00	298.15	910.18
100.00	303.15	904.12
100.00	308.15	898.02
100.00	313.15	891.87
100.00	318.15	885.68
100.00	323.15	879.43
100.00	328.15	873.12
100.00	333.15	866.75
100.00	338.15	860.33
2500.00	283.15	930.56
2500.00	288.15	924.54
2500.00	293.15	918.63
2500.00	298.15	912.71
2500.00	303.15	906.73
2500.00	308.15	900.91
2500.00	313.15	894.72
2500.00	318.15	888.8
2500.00	323.15	882.68
2500.00	328.15	876.29
2500.00	333.15	870.11
2500.00	338.15	863.95
5000.00	283.15	932.75
5000.00	288.15	926.97
5000.00	293.15	921.3
5000.00	298.15	915.3
5000.00	303.15	909.46
5000.00	308.15	903.72
5000.00	313.15	897.62
5000.00	318.15	891.79
5000.00	323.15	885.8
5000.00	328.15	879.75
5000.00	333.15	873.62
5000.00	338.15	867.36
7500.00	283.15	935.07
7500.00	288.15	929.48
7500.00	293.15	923.72
7500.00	298.15	918.0
7500.00	303.15	912.07
7500.00	308.15	906.43
7500.00	313.15	900.57
7500.00	318.15	894.77
7500.00	323.15	888.76
7500.00	328.15	882.71
7500.00	333.15	876.95
7500.00	338.15	870.91
10000.00	283.15	937.27
10000.00	288.15	931.62
10000.00	293.15	926.09
10000.00	298.15	920.32
10000.00	303.15	914.76
10000.00	308.15	909.05
10000.00	313.15	903.14
10000.00	318.15	897.58
10000.00	323.15	891.8
10000.00	328.15	885.92
10000.00	333.15	880.01
10000.00	338.15	874.16
20000.00	283.15	945.74
20000.00	288.15	940.4
20000.00	293.15	934.94
20000.00	298.15	929.72
20000.00	303.15	924.23
20000.00	308.15	918.85
20000.00	313.15	913.34
20000.00	318.15	907.94
20000.00	323.15	902.39
20000.00	328.15	896.99
20000.00	333.15	891.39
20000.00	338.15	886.03
30000.00	283.15	953.37
30000.00	288.15	948.28
30000.00	293.15	943.1
30000.00	298.15	937.91
30000.00	303.15	932.75
30000.00	308.15	927.65
30000.00	313.15	922.45
30000.00	318.15	917.27
30000.00	323.15	911.96
30000.00	328.15	906.92
30000.00	333.15	901.64
30000.00	338.15	896.44
40000.00	283.15	960.5
40000.00	288.15	955.59
40000.00	293.15	950.59
40000.00	298.15	945.67
40000.00	303.15	940.68
40000.00	308.15	935.68
40000.00	313.15	930.83
40000.00	318.15	925.75
40000.00	323.15	920.89
40000.00	328.15	915.88
40000.00	333.15	910.95
40000.00	338.15	905.99
50000.00	283.15	967.21
50000.00	288.15	962.35
50000.00	293.15	957.61
50000.00	298.15	952.89
50000.00	303.15	948.03
50000.00	308.15	943.2
50000.00	313.15	938.5
50000.00	318.15	933.61
50000.00	323.15	929.01
50000.00	328.15	924.13
50000.00	333.15	919.48
50000.00	338.15	914.74
60000.00	283.15	973.54
60000.00	288.15	968.84
60000.00	293.15	964.27
60000.00	298.15	959.58
60000.00	303.15	955.1
60000.00	308.15	950.35
60000.00	313.15	945.71
60000.00	318.15	941.15
60000.00	323.15	936.53
60000.00	328.15	931.92
60000.00	333.15	927.42
60000.00	338.15	922.79
99.00	278.15	934.034
99.00	280.65	931.092
99.00	283.15	928.13
99.00	285.65	925.161
99.00	288.15	922.181
99.00	290.65	919.197
99.00	293.15	916.198
99.00	295.65	913.193
99.00	298.15	910.179
99.00	300.65	907.155
99.00	303.15	904.121
99.00	305.65	901.077
99.00	308.15	898.02
99.00	310.65	894.953
99.00	313.15	891.871
99.00	315.65	888.779
99.00	318.15	885.676
99.00	320.65	882.558
99.00	323.15	879.425
99.00	325.65	876.278
99.00	328.15	873.118
99.00	330.65	869.944
99.00	333.15	866.753
99.00	335.65	863.547
99.00	338.15	860.327
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[241.87; 359.88]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.53078e+01
Coefficient B			-3.52676e+03
Coefficient C			-7.07200e+00
Temperature range, min.			241.87
Temperature range, max.			359.88
Pvap	1.33	kPa	241.87	Calculated Property
Pvap	2.95	kPa	254.98	Calculated Property
Pvap	6.03	kPa	268.09	Calculated Property
Pvap	11.50	kPa	281.21	Calculated Property
Pvap	20.70	kPa	294.32	Calculated Property
Pvap	35.38	kPa	307.43	Calculated Property
Pvap	57.81	kPa	320.54	Calculated Property
Pvap	90.82	kPa	333.66	Calculated Property
Pvap	137.79	kPa	346.77	Calculated Property
Pvap	202.67	kPa	359.88	Calculated Property
Pvap	[85.97; 284.38]	kPa	[333.40; 373.50]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.56928e+01
Coefficient B			-3.78334e+03
Coefficient C			3.23400e+00
Reference			Eon, Pommier, et al., 1971
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			333.40
Temperature range, max.			373.50
Pvap	85.97	kPa	333.40	Calculated Property
Pvap	99.57	kPa	337.86	Calculated Property
Pvap	114.88	kPa	342.31	Calculated Property
Pvap	132.06	kPa	346.77	Calculated Property
Pvap	151.28	kPa	351.22	Calculated Property
Pvap	172.71	kPa	355.68	Calculated Property
Pvap	196.54	kPa	360.13	Calculated Property
Pvap	222.96	kPa	364.59	Calculated Property
Pvap	252.17	kPa	369.04	Calculated Property
Pvap	284.38	kPa	373.50	Calculated Property

Similar Compounds

Find more compounds similar to Furan, 2-methyl-.

Mixtures

• Furan, 2-methyl- + 2-Furanmethanol
• Furan, 2-methyl- + Carbon monoxide
• Furan, 2-methyl- + Pentane, 2,2,4-trimethyl-
• Furan, 2-methyl- + 2-Propanol
• Furan, 2-methyl- + 1-Pentanol
• Furan, 2-methyl- + 2-Pentanol
• Furan, 2-methyl- + 1-Hexanol
• Furan, 2-methyl- + Water
• Furan, 2-methyl- + 2-Butanol

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 ChEDL chemicals 1.5.2, from Kudchadker, A. P.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 7. Oxygen Compounds Other Than Alkanols and Cycloalkanols. J. Chem. Eng. Data 2001, 46, 457-479.
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Staveley, Lobo and Calado (1981), triple points ChEDL chemicals 1.5.2, from Staveley, L. A. K.; Lobo, L. Q.; Calado, J. C. G. Triple-Points of Low Melting Substances and Their Use in Cryogenic Work. Cryogenics 1981, 21, 131-144.
• Crippen Method
• Crippen Method
• Isothermal vapor liquid equilibrium for binary mixtures containing furfural and its derivatives
• High-pressure vapor-liquid equilibria of the second generation biofuel blends (2-methylfuran + iso-octane) and (2-methyltetrahydrofuran + di-n-butyl ether): Experiments and PCP-SAFT modeling
• Measurement and modeling of infinite dilution activity coefficients of organic compounds in an equimolar ionic liquid mixture of [Bmim]Cl and [Bmim][Tf2N]
• Solubility of carbon monoxide in bio-oil compounds
• Excess volumes and partial molar volumes of binary liquid mixtures of furfural or 2-methylfuran with alcohols at 298.15 K
• Thermophysical study of the furan family
• Design of Equilibrium Cells for Phase Equilibria and PVT Measurements in Large Ranges of Temperatures and Pressures. I. Vapor Liquid Liquid Equilibria
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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