Chemical Properties of Furan (CAS 110-00-9)

InChI

InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H

InChI Key

YLQBMQCUIZJEEH-UHFFFAOYSA-N

Formula

C4H4O

SMILES

c1ccoc1

Molecular Weight¹

68.07

CAS

110-00-9

Other Names

• 1,4-Epoxy-1,3-butadiene
• Divinylene oxide
• Furane
• Furfuran
• Furfurane
• NCI-C56202
• Rcra waste number U124
• UN 2389
• oxacyclopentadiene
• oxole
• tetrole

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• NFPA Safety : NFPA Safety Rating.
• 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.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• Δ_vapS : Entropy of vaporization at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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.

Contents

1. Physical Properties
2. Temperature Dependent Properties
3. Pressure Dependent Properties
4. Datasets
5. Correlations
6. Similar Compounds
7. Mixtures
8. Sources

Physical Properties

Property	Value	Unit	Source
ω	0.2090		KDB
PAff	[803.40; 813.00]	kJ/mol
PAff	803.40	kJ/mol	NIST
PAff	812.00 ± 8.00	kJ/mol	NIST
PAff	813.00 ± 8.00	kJ/mol	NIST
BasG	[770.90; 782.00]	kJ/mol
BasG	770.90	kJ/mol	NIST
BasG	781.00 ± 8.00	kJ/mol	NIST
BasG	782.00 ± 8.00	kJ/mol	NIST
ΔcH°liquid	[-2088.00; -2083.50]	kJ/mol
ΔcH°liquid	-2083.50	kJ/mol	NIST
ΔcH°liquid	-2088.00	kJ/mol	NIST
μ	0.70	debye	KDB
ΔfG°	0.88	kJ/mol	KDB
ΔfH°gas	[-34.70; -27.70]	kJ/mol
ΔfH°gas	-34.70	kJ/mol	KDB
ΔfH°gas	-27.70	kJ/mol	NIST
ΔfH°gas	-34.70	kJ/mol	NIST
ΔfH°gas	-29.80	kJ/mol	NIST
ΔfH°liquid	[-62.34; -57.45]	kJ/mol
ΔfH°liquid	-62.34	kJ/mol	NIST
ΔfH°liquid	-57.45	kJ/mol	NIST
ΔvapH°	[27.60; 28.20]	kJ/mol
ΔvapH°	27.71	kJ/mol	NIST
ΔvapH°	28.20	kJ/mol	NIST
ΔvapH°	27.60	kJ/mol	NIST
ΔvapH°	27.60	kJ/mol	NIST
IE	[8.80; 9.00]	eV
IE	8.88 ± 0.01	eV	NIST
IE	8.90	eV	NIST
IE	8.88	eV	NIST
IE	Outlier 8.98 ± 0.03	eV	NIST
IE	8.83	eV	NIST
IE	8.87	eV	NIST
IE	8.83	eV	NIST
IE	8.88	eV	NIST
IE	Outlier 9.00 ± 0.10	eV	NIST
IE	8.88 ± 0.05	eV	NIST
IE	Outlier 8.80	eV	NIST
IE	8.89	eV	NIST
IE	8.85 ± 0.05	eV	NIST
IE	Outlier 8.99 ± 0.05	eV	NIST
IE	8.88	eV	NIST
IE	8.88	eV	NIST
IE	8.91 ± 0.01	eV	NIST
IE	8.87 ± 0.03	eV	NIST
IE	8.89 ± 0.05	eV	NIST
IE	8.89 ± 0.01	eV	NIST
IE	8.90	eV	NIST
IE	8.88	eV	NIST
IE	8.89	eV	NIST
IE	8.89	eV	NIST
IE	8.88	eV	NIST
log10WS	[-0.82; -0.82]
log10WS	-0.82		Aq. Solubility Prediction
log10WS	-0.82		Estimated Solubility
logPoct/wat	1.280		Crippen Calculated Property
McVol	53.630	ml/mol	McGowan Calculated Property
NFPA Fire	4		KDB
NFPA Health	1		KDB
NFPA Safety	1		KDB
Pc	[5320.00; 5500.00]	kPa
Pc	5500.00	kPa	KDB
Pc	5320.00 ± 117.20	kPa	NIST
Inp	[131.10; 500.00]
Inp	500.00		NIST
Inp	498.00		NIST
Inp	483.00		NIST
Inp	492.00		NIST
Inp	485.00		NIST
Inp	500.00		NIST
Inp	495.00		NIST
Inp	492.00		NIST
Inp	500.00		NIST
Inp	500.00		NIST
Inp	498.00		NIST
Inp	Outlier 131.10		NIST
Inp	495.00		NIST
I	[760.00; 831.00]
I	798.00		NIST
I	779.00		NIST
I	790.00		NIST
I	800.00		NIST
I	797.00		NIST
I	802.00		NIST
I	797.00		NIST
I	786.00		NIST
I	802.00		NIST
I	802.00		NIST
I	801.00		NIST
I	827.00		NIST
I	813.00		NIST
I	800.00		NIST
I	831.00		NIST
I	Outlier 760.00		NIST
I	786.00		NIST
I	800.00		NIST
I	786.00		NIST
I	798.00		NIST
I	802.00		NIST
I	831.00		NIST
S°liquid	176.65	J/mol×K	NIST
Tboil	[304.15; 307.15]	K
Tboil	304.60	K	KDB
Tboil	304.60	K	NIST
Tboil	304.50	K	NIST
Tboil	Outlier 307.15 ± 3.00	K	NIST
Tboil	304.51 ± 0.05	K	NIST
Tboil	305.15 ± 1.00	K	NIST
Tboil	304.15 ± 1.00	K	NIST
Tboil	305.00 ± 2.00	K	NIST
Tboil	304.47 ± 0.20	K	NIST
Tboil	304.75 ± 0.30	K	NIST
Tboil	304.42 ± 0.25	K	NIST
Tboil	304.48 ± 0.08	K	NIST
Tboil	305.15 ± 0.70	K	NIST
Tboil	305.15 ± 5.00	K	NIST
Tc	[487.00; 490.20]	K
Tc	490.20	K	KDB
Tc	490.20	K	NIST
Tc	490.20 ± 0.30	K	NIST
Tc	487.00 ± 2.00	K	NIST
Tfus	[187.15; 187.75]	K
Tfus	187.50	K	KDB
Tfus	187.75	K	Aq. Solubility Prediction
Tfus	187.44 ± 0.20	K	NIST
Tfus	187.56 ± 0.05	K	NIST
Tfus	Outlier 187.15 ± 1.00	K	NIST
Tfus	187.47 ± 0.20	K	NIST
Tfus	187.55 ± 0.30	K	NIST
Ttriple	[187.54; 187.55]	K
Ttriple	187.54 ± 0.05	K	NIST
Ttriple	187.55 ± 0.02	K	NIST
Ttriple	187.55 ± 0.02	K	NIST
Vc	[0.218; 0.219]	m3/kmol
Vc	0.218	m3/kmol	KDB
Vc	0.219 ± 0.005	m3/kmol	NIST
Zc	0.2941770		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[70.29; 106.48]	J/mol×K	[317.25; 487.20]
Cp,gas	70.29	J/mol×K	317.25	NIST
Cp,gas	80.12	J/mol×K	358.20	NIST
Cp,gas	90.00	J/mol×K	402.20	NIST
Cp,gas	99.58	J/mol×K	449.20	NIST
Cp,gas	106.48	J/mol×K	487.20	NIST
Cp,liquid	114.56	J/mol×K	298.15	NIST
ΔfusH	[2.05; 3.80]	kJ/mol	[150.00; 187.60]
ΔfusH	2.05	kJ/mol	150.00	NIST
ΔfusH	3.80	kJ/mol	187.60	NIST
ΔfusH	3.80	kJ/mol	187.60	NIST
ΔvapH	[27.09; 30.20]	kJ/mol	[297.00; 304.50]
ΔvapH	30.20	kJ/mol	297.00	NIST
ΔvapH	27.45	kJ/mol	298.15	NIST
ΔvapH	27.45	kJ/mol	298.15	NIST
ΔvapH	27.20	kJ/mol	304.20	NIST
ΔvapH	27.70	kJ/mol	304.36	NIST
ΔvapH	27.70	kJ/mol	304.36	NIST
ΔvapH	27.09	kJ/mol	304.50	KDB
ΔvapH	27.10	kJ/mol	304.50	NIST
ΔvapH	28.60	kJ/mol	304.50	NIST
ΔvapH	28.60	kJ/mol	304.50	NIST
Pvap	[455.10; 1513.30]	kPa	[353.40; 407.90]
Pvap	455.10	kPa	353.40	Isothermal vapor liquid equilibrium for binary mixtures containing furfural and its derivatives
Pvap	735.60	kPa	373.10	Isothermal vapor liquid equilibrium for binary mixtures containing furfural and its derivatives
Pvap	1513.30	kPa	407.90	Isothermal vapor liquid equilibrium for binary mixtures containing furfural and its derivatives
n0	1.42100		293.15	Solubility of hydrogen in bio-oil compounds
ρl	938.00	kg/m3	293.00	KDB
ΔfusS	[13.64; 20.29]	J/mol×K	[150.00; 187.60]
ΔfusS	13.64	J/mol×K	150.00	NIST
ΔfusS	20.29	J/mol×K	187.60	NIST
ΔvapS	[92.07; 92.07]	J/mol×K	[298.15; 298.15]
ΔvapS	92.07	J/mol×K	298.15	NIST
ΔvapS	92.07	J/mol×K	298.15	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	305.20	K	101.00	NIST

Datasets

1. Refractive index (Na D-line) (1)
2. Mass density, kg/m3 (1)

Refractive index (Na D-line)

Fixed		Measured
Pressure, kPa - Liquid	Temperature, K - Liquid	Refractive index (Na D-line) - Liquid
101.23	293.15	1.4218
Reference

Mass density, kg/m3

Fixed		Measured
Pressure, kPa - Liquid	Temperature, K - Liquid	Mass density, kg/m3 - Liquid
100.00	283.15	952.36
100.00	288.15	945.58
100.00	293.15	938.74
100.00	298.15	931.84
100.00	303.15	924.86
2500.00	283.15	954.38
2500.00	288.15	947.81
2500.00	293.15	940.99
2500.00	298.15	934.31
2500.00	303.15	927.4
2500.00	308.15	920.6
2500.00	313.15	913.48
2500.00	318.15	906.59
2500.00	323.15	899.25
2500.00	328.15	892.18
2500.00	333.15	884.69
2500.00	338.15	877.34
5000.00	283.15	956.94
5000.00	288.15	950.42
5000.00	293.15	943.7
5000.00	298.15	937.14
5000.00	303.15	930.33
5000.00	308.15	923.71
5000.00	313.15	916.68
5000.00	318.15	909.88
5000.00	323.15	902.71
5000.00	328.15	895.9
5000.00	333.15	888.51
5000.00	338.15	881.44
7500.00	283.15	959.39
7500.00	288.15	953.03
7500.00	293.15	946.38
7500.00	298.15	939.92
7500.00	303.15	933.21
7500.00	308.15	926.73
7500.00	313.15	919.8
7500.00	318.15	913.18
7500.00	323.15	906.1
7500.00	328.15	899.49
7500.00	333.15	892.17
7500.00	338.15	885.37
10000.00	283.15	961.81
10000.00	288.15	955.59
10000.00	293.15	948.97
10000.00	298.15	942.68
10000.00	303.15	936.0
10000.00	308.15	929.66
10000.00	313.15	922.81
10000.00	318.15	916.44
10000.00	323.15	909.42
10000.00	328.15	902.97
10000.00	333.15	895.74
10000.00	338.15	889.16
20000.00	283.15	970.97
20000.00	288.15	965.03
20000.00	293.15	958.75
20000.00	298.15	952.79
20000.00	303.15	946.46
20000.00	308.15	940.5
20000.00	313.15	934.04
20000.00	318.15	928.06
20000.00	323.15	921.53
20000.00	328.15	915.52
20000.00	333.15	908.84
20000.00	338.15	902.71
30000.00	283.15	979.35
30000.00	288.15	973.69
30000.00	293.15	967.71
30000.00	298.15	961.99
30000.00	303.15	956.04
30000.00	308.15	950.3
30000.00	313.15	944.27
30000.00	318.15	938.56
30000.00	323.15	932.47
30000.00	328.15	926.72
30000.00	333.15	920.52
30000.00	338.15	914.72
40000.00	283.15	987.2
40000.00	288.15	981.69
40000.00	293.15	976.04
40000.00	298.15	970.53
40000.00	303.15	964.82
40000.00	308.15	959.34
40000.00	313.15	953.57
40000.00	318.15	948.09
40000.00	323.15	942.39
40000.00	328.15	936.8
40000.00	333.15	931.04
40000.00	338.15	925.5
50000.00	283.15	994.5
50000.00	288.15	989.18
50000.00	293.15	983.77
50000.00	298.15	978.42
50000.00	303.15	972.99
50000.00	308.15	967.69
50000.00	313.15	962.21
50000.00	318.15	956.88
50000.00	323.15	951.44
50000.00	328.15	946.08
50000.00	333.15	940.62
50000.00	338.15	935.32
60000.00	283.15	1001.42
60000.00	288.15	996.21
60000.00	293.15	990.98
60000.00	298.15	985.81
60000.00	303.15	980.62
60000.00	308.15	975.44
60000.00	313.15	970.23
60000.00	318.15	965.06
60000.00	323.15	959.86
60000.00	328.15	954.71
60000.00	333.15	949.48
60000.00	338.15	944.34
99.00	278.15	959.086
99.00	280.65	955.729
99.00	283.15	952.358
99.00	285.65	948.976
99.00	288.15	945.579
99.00	290.65	942.167
99.00	293.15	938.739
99.00	295.65	935.294
99.00	298.15	931.835
99.00	300.65	928.357
99.00	303.15	924.861
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 5425.76]	kPa	[221.89; 490.15]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.43852e+01
Coefficient B			-2.63288e+03
Coefficient C			-3.51270e+01
Temperature range, min.			221.89
Temperature range, max.			490.15
Pvap	1.33	kPa	221.89	Calculated Property
Pvap	9.28	kPa	251.70	Calculated Property
Pvap	40.40	kPa	281.50	Calculated Property
Pvap	128.00	kPa	311.31	Calculated Property
Pvap	323.98	kPa	341.12	Calculated Property
Pvap	695.38	kPa	370.92	Calculated Property
Pvap	1317.77	kPa	400.73	Calculated Property
Pvap	2267.78	kPa	430.54	Calculated Property
Pvap	3616.67	kPa	460.34	Calculated Property
Pvap	5425.76	kPa	490.15	Calculated Property
Pvap	[31.16; 270.10]	kPa	[275.70; 334.58]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40458e+01
Coefficient B			-2.44258e+03
Coefficient C			-4.54160e+01
Reference			Guthrie, Scott, et al., 1952, 2
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			275.70
Temperature range, max.			334.58
Pvap	31.16	kPa	275.70	Calculated Property
Pvap	41.76	kPa	282.24	Calculated Property
Pvap	55.11	kPa	288.78	Calculated Property
Pvap	71.67	kPa	295.33	Calculated Property
Pvap	91.96	kPa	301.87	Calculated Property
Pvap	116.54	kPa	308.41	Calculated Property
Pvap	146.01	kPa	314.95	Calculated Property
Pvap	180.99	kPa	321.50	Calculated Property
Pvap	222.13	kPa	328.04	Calculated Property
Pvap	270.10	kPa	334.58	Calculated Property
Pvap	[31.16; 270.10]	kPa	[275.70; 334.58]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40458e+01
Coefficient B			-2.44258e+03
Coefficient C			-4.54160e+01
Reference			Guthrie, Scott, et al., 1952
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			275.70
Temperature range, max.			334.58
Pvap	31.16	kPa	275.70	Calculated Property
Pvap	41.76	kPa	282.24	Calculated Property
Pvap	55.11	kPa	288.78	Calculated Property
Pvap	71.67	kPa	295.33	Calculated Property
Pvap	91.96	kPa	301.87	Calculated Property
Pvap	116.54	kPa	308.41	Calculated Property
Pvap	146.01	kPa	314.95	Calculated Property
Pvap	180.99	kPa	321.50	Calculated Property
Pvap	222.13	kPa	328.04	Calculated Property
Pvap	270.10	kPa	334.58	Calculated Property
Pvap	[31.16; 270.10]	kPa	[275.70; 334.58]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40458e+01
Coefficient B			-2.44258e+03
Coefficient C			-4.54160e+01
Reference			Guthrie, Scott, et al., 1952, 3
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			275.70
Temperature range, max.			334.58
Pvap	31.16	kPa	275.70	Calculated Property
Pvap	41.76	kPa	282.24	Calculated Property
Pvap	55.11	kPa	288.78	Calculated Property
Pvap	71.67	kPa	295.33	Calculated Property
Pvap	91.96	kPa	301.87	Calculated Property
Pvap	116.54	kPa	308.41	Calculated Property
Pvap	146.01	kPa	314.95	Calculated Property
Pvap	180.99	kPa	321.50	Calculated Property
Pvap	222.13	kPa	328.04	Calculated Property
Pvap	270.10	kPa	334.58	Calculated Property

Similar Compounds

Find more compounds similar to Furan.

Mixtures

• Furan + Furfural
• Furan + n-Hexane
• Furan + Toluene
• Furan + 1-Octanol
• Furan + Ethanol
• Furan + n-Hexane + Furfural
• Furan + Carbon monoxide
• Furan + Water
• Furan + Hydrogen
• Methane, dibromo- + Furan

Sources

• Crippen Method
• Vapour-liquid equilibrium (VLE) for the systems furan + n-hexane and furan + toluene. Measurements, data treatment and modeling using molecular models
• Isothermal vapor liquid equilibrium for binary mixtures containing furfural and its derivatives
• Measurement of activity coefficient at infinite dilution for some bio-oil components in water and mass transfer study of bubbles in the dilutor.
• Equilibrium data and GC-PC SAFT predictions for furanic extraction
• 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 hydrogen in bio-oil compounds
• Solubility of carbon monoxide in bio-oil compounds
• Improving the method of solution calorimetry for evaluation of the enthalpies of phase transitions and condensed state enthalpies of formation
• EXCESS MOLAR ENTHALPIES OF DIBROMOMETHANE WITH ACETONITRILE,FURAN AND ACETOPHENONE 303.15 K
• Thermophysical study of the furan family
• Additive scheme for calculation of solvation enthalpies of heterocyclic aromatic compounds. Sublimation/vaporization enthalpy at 298.15 K
• Vapor Liquid Equilibrium Data for the Furan-Toluene Binary System between 313.02 and 352.99 K
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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