Chemical Properties of Furan, 2,5-dimethyl- (CAS 625-86-5)

InChI

InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3

InChI Key

GSNUFIFRDBKVIE-UHFFFAOYSA-N

Formula

C6H8O

SMILES

Cc1ccc(C)o1

Molecular Weight¹

96.13

CAS

625-86-5

Other Names

• 2,5-Dimethylfuran
• 2,5-Dimethylfurane
• 2,5-dimethyloxole

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (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).
• 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).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : 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	0.3342		Relay (1.0) Calculated Property
PAff	865.90	kJ/mol	NIST
BasG	835.20	kJ/mol	NIST
ΔfG°	-17.21	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-162.21	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	31.80 ± 0.30	kJ/mol	NIST
IE	[7.80; 8.25]	eV
IE	7.80	eV	NIST
IE	8.25 ± 0.10	eV	NIST
IE	8.03	eV	NIST
log10WS	-0.73		Relay (1.0) Calculated Property
logPoct/wat	1.896		Crippen Calculated Property
McVol	81.810	ml/mol	McGowan Calculated Property
Pc	4346.74	kPa	Relay (1.0-beta) Calculated Property
Inp	[667.00; 728.00]
Inp	696.00		NIST
Inp	695.00		NIST
Inp	697.00		NIST
Inp	695.00		NIST
Inp	697.00		NIST
Inp	Outlier 667.00		NIST
Inp	701.00		NIST
Inp	701.00		NIST
Inp	718.00		NIST
Inp	696.00		NIST
Inp	685.00		NIST
Inp	697.00		NIST
Inp	684.00		NIST
Inp	708.00		NIST
Inp	Outlier 728.00		NIST
Inp	706.00		NIST
Inp	693.00		NIST
Inp	706.00		NIST
Inp	704.00		NIST
Inp	711.00		NIST
Inp	723.00		NIST
Inp	707.00		NIST
Inp	700.00		NIST
Inp	715.00		NIST
Inp	700.00		NIST
Inp	712.00		NIST
Inp	Outlier 727.00		NIST
Inp	Outlier 728.00		NIST
Inp	718.00		NIST
Inp	695.00		NIST
Inp	703.00		NIST
Inp	708.00		NIST
Inp	694.00		NIST
Inp	697.00		NIST
Inp	700.00		NIST
Inp	707.00		NIST
Inp	697.00		NIST
Inp	689.00		NIST
Inp	689.00		NIST
Inp	697.00		NIST
Inp	697.00		NIST
Inp	697.00		NIST
Inp	712.00		NIST
Inp	703.00		NIST
Inp	707.00		NIST
Inp	697.00		NIST
Inp	706.00		NIST
Inp	723.00		NIST
Inp	695.00		NIST
Inp	696.00		NIST
I	[890.00; 972.00]
I	939.00		NIST
I	Outlier 892.00		NIST
I	925.00		NIST
I	938.00		NIST
I	Outlier 890.00		NIST
I	950.00		NIST
I	943.00		NIST
I	930.00		NIST
I	958.00		NIST
I	958.00		NIST
I	952.00		NIST
I	958.00		NIST
I	946.00		NIST
I	925.00		NIST
I	934.00		NIST
I	945.00		NIST
I	931.00		NIST
I	933.00		NIST
I	933.00		NIST
I	933.00		NIST
I	934.00		NIST
I	938.00		NIST
I	909.00		NIST
I	943.00		NIST
I	Outlier 972.00		NIST
I	957.00		NIST
I	952.00		NIST
I	930.00		NIST
I	930.00		NIST
I	930.00		NIST
I	949.00		NIST
I	951.00		NIST
I	951.00		NIST
I	953.00		NIST
I	951.00		NIST
I	938.00		NIST
I	939.00		NIST
I	939.00		NIST
I	951.00		NIST
I	931.00		NIST
I	943.00		NIST
I	945.00		NIST
I	934.00		NIST
Tboil	366.83	K	Vapor Liquid Equilibrium, Densities, and Interfacial Tensions of the System Hexane + 2,5-Dimethylfuran
Tc	552.97	K	Relay (1.0) Calculated Property
Tfus	214.16	K	Relay (1.0) Calculated Property
Vc	0.308	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	32.30 ± 0.30	kJ/mol	289.50	NIST
Pvap	[13.94; 212.88]	kPa	[313.15; 393.15]
Pvap	13.94	kPa	313.15	Phase equilibrium properties of binary mixtures containing 2,5-dimethylfuran and furfuryl alcohol or methyl isobutyl ketone at several temperatures
Pvap	21.54	kPa	323.15	Phase equilibrium properties of binary mixtures containing 2,5-dimethylfuran and furfuryl alcohol or methyl isobutyl ketone at several temperatures
Pvap	32.20	kPa	333.15	Phase equilibrium properties of binary mixtures containing 2,5-dimethylfuran and furfuryl alcohol or methyl isobutyl ketone at several temperatures
Pvap	46.74	kPa	343.15	Phase equilibrium properties of binary mixtures containing 2,5-dimethylfuran and furfuryl alcohol or methyl isobutyl ketone at several temperatures
Pvap	66.08	kPa	353.15	Phase equilibrium properties of binary mixtures containing 2,5-dimethylfuran and furfuryl alcohol or methyl isobutyl ketone at several temperatures
Pvap	91.23	kPa	363.15	Phase equilibrium properties of binary mixtures containing 2,5-dimethylfuran and furfuryl alcohol or methyl isobutyl ketone at several temperatures
Pvap	123.28	kPa	373.15	Phase equilibrium properties of binary mixtures containing 2,5-dimethylfuran and furfuryl alcohol or methyl isobutyl ketone at several temperatures
Pvap	163.43	kPa	383.15	Phase equilibrium properties of binary mixtures containing 2,5-dimethylfuran and furfuryl alcohol or methyl isobutyl ketone at several temperatures
Pvap	212.88	kPa	393.15	Phase equilibrium properties of binary mixtures containing 2,5-dimethylfuran and furfuryl alcohol or methyl isobutyl ketone at several temperatures
n0	[1.44012; 1.44012]		[298.15; 298.15]
n0	1.44012		298.15	Isobaric vapor liquid equilibrium and isothermal surface tensions of 2,2 -oxybis[propane] + 2,5-Dimethylfuran
n0	1.44012		298.15	Isobaric Vapor Liquid Equilibrium and Isothermal Interfacial Tensions for the System Ethanol + 2,5-Dimethylfuran

Datasets

Mass density, kg/m3

Fixed		Measured
Pressure, kPa - Liquid	Temperature, K - Liquid	Mass density, kg/m3 - Liquid
100.00	283.15	912.25
100.00	288.15	906.99
100.00	293.15	901.64
100.00	298.15	896.29
100.00	303.15	890.9
100.00	308.15	885.45
100.00	313.15	879.93
100.00	318.15	874.44
100.00	323.15	868.85
100.00	328.15	863.25
100.00	333.15	857.58
100.00	338.15	851.85
2500.00	283.15	914.37
2500.00	288.15	909.13
2500.00	293.15	903.82
2500.00	298.15	898.6
2500.00	303.15	893.25
2500.00	308.15	887.9
2500.00	313.15	882.45
2500.00	318.15	877.03
2500.00	323.15	871.55
2500.00	328.15	866.05
2500.00	333.15	860.47
2500.00	338.15	854.88
5000.00	283.15	916.47
5000.00	288.15	911.29
5000.00	293.15	906.07
5000.00	298.15	900.94
5000.00	303.15	895.65
5000.00	308.15	890.36
5000.00	313.15	885.02
5000.00	318.15	879.68
5000.00	323.15	874.3
5000.00	328.15	868.91
5000.00	333.15	863.42
5000.00	338.15	857.96
7500.00	283.15	918.52
7500.00	288.15	913.42
7500.00	293.15	908.26
7500.00	298.15	903.16
7500.00	303.15	897.97
7500.00	308.15	892.78
7500.00	313.15	887.51
7500.00	318.15	882.27
7500.00	323.15	876.94
7500.00	328.15	871.68
7500.00	333.15	866.28
7500.00	338.15	860.93
10000.00	283.15	920.53
10000.00	288.15	915.49
10000.00	293.15	910.4
10000.00	298.15	905.39
10000.00	303.15	900.25
10000.00	308.15	895.14
10000.00	313.15	889.95
10000.00	318.15	884.79
10000.00	323.15	879.54
10000.00	328.15	874.38
10000.00	333.15	869.07
10000.00	338.15	863.81
20000.00	283.15	928.2
20000.00	288.15	923.34
20000.00	293.15	918.5
20000.00	298.15	913.73
20000.00	303.15	908.83
20000.00	308.15	903.98
20000.00	313.15	899.05
20000.00	318.15	894.18
20000.00	323.15	889.25
20000.00	328.15	884.36
20000.00	333.15	879.4
20000.00	338.15	874.45
30000.00	283.15	935.24
30000.00	288.15	930.62
30000.00	293.15	925.97
30000.00	298.15	921.4
30000.00	303.15	916.74
30000.00	308.15	912.1
30000.00	313.15	907.41
30000.00	318.15	902.74
30000.00	323.15	898.07
30000.00	328.15	893.38
30000.00	333.15	888.7
30000.00	338.15	884.02
40000.00	283.15	941.89
40000.00	288.15	937.41
40000.00	293.15	932.94
40000.00	298.15	928.44
40000.00	303.15	924.06
40000.00	308.15	919.56
40000.00	313.15	915.12
40000.00	318.15	910.6
40000.00	323.15	906.13
40000.00	328.15	901.61
40000.00	333.15	897.22
40000.00	338.15	892.61
50000.00	283.15	948.12
50000.00	288.15	943.72
50000.00	293.15	939.57
50000.00	298.15	935.19
50000.00	303.15	930.89
50000.00	308.15	926.54
50000.00	313.15	922.3
50000.00	318.15	917.91
50000.00	323.15	913.67
50000.00	328.15	909.29
50000.00	333.15	905.17
50000.00	338.15	900.74
60000.00	283.15	953.98
60000.00	288.15	949.78
60000.00	293.15	945.6
60000.00	298.15	941.44
60000.00	303.15	937.27
60000.00	308.15	933.08
60000.00	313.15	928.9
60000.00	318.15	924.74
60000.00	323.15	920.58
60000.00	328.15	916.43
60000.00	333.15	912.4
60000.00	338.15	908.17
99.00	278.15	917.53
99.00	280.65	914.899
99.00	283.15	912.247
99.00	285.65	909.614
99.00	288.15	906.988
99.00	290.65	904.299
99.00	293.15	901.636
99.00	295.65	898.951
99.00	298.15	896.285
99.00	300.65	893.569
99.00	303.15	890.898
99.00	305.65	888.151
99.00	308.15	885.447
99.00	310.65	882.693
99.00	313.15	879.927
99.00	315.65	877.195
99.00	318.15	874.437
99.00	320.65	871.651
99.00	323.15	868.85
99.00	325.65	866.06
99.00	328.15	863.248
99.00	330.65	860.418
99.00	333.15	857.577
99.00	335.65	854.721
99.00	338.15	851.85
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[270.42; 390.63]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.48188e+01
Coefficient B			-3.30555e+03
Coefficient C			-4.29400e+01
Temperature range, min.			270.42
Temperature range, max.			390.63
Pvap	1.33	kPa	270.42	Calculated Property
Pvap	2.98	kPa	283.78	Calculated Property
Pvap	6.14	kPa	297.13	Calculated Property
Pvap	11.75	kPa	310.49	Calculated Property
Pvap	21.14	kPa	323.85	Calculated Property
Pvap	36.07	kPa	337.20	Calculated Property
Pvap	58.74	kPa	350.56	Calculated Property
Pvap	91.87	kPa	363.92	Calculated Property
Pvap	138.62	kPa	377.27	Calculated Property
Pvap	202.67	kPa	390.63	Calculated Property

Similar Compounds

Find more compounds similar to Furan, 2,5-dimethyl-.

Mixtures

• Diisopropyl ether + Furan, 2,5-dimethyl-
• 2-Furanmethanol + Furan, 2,5-dimethyl-
• Methyl Isobutyl Ketone + Furan, 2,5-dimethyl-
• n-Hexane + Furan, 2,5-dimethyl-
• Ethanol + Furan, 2,5-dimethyl-

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Isobaric vapor liquid equilibrium and isothermal surface tensions of 2,2 -oxybis[propane] + 2,5-Dimethylfuran
• Measurement and modeling of infinite dilution activity coefficients of organic compounds in an equimolar ionic liquid mixture of [Bmim]Cl and [Bmim][Tf2N]
• Phase equilibrium properties of binary mixtures containing 2,5-dimethylfuran and furfuryl alcohol or methyl isobutyl ketone at several temperatures
• Thermophysical study of the furan family
• Vapor Liquid Equilibrium, Densities, and Interfacial Tensions of the System Hexane + 2,5-Dimethylfuran
• Isobaric Vapor Liquid Equilibrium and Isothermal Interfacial Tensions for the System Ethanol + 2,5-Dimethylfuran
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.