Chemical Properties of 2-Furanmethanol, tetrahydro- (CAS 97-99-4)

InChI

InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2

InChI Key

BSYVTEYKTMYBMK-UHFFFAOYSA-N

Formula

C5H10O2

SMILES

OCC1CCCO1

Molecular Weight¹

102.13

CAS

97-99-4

Other Names

• 2-(hydroxymethyl)tetrahydrofuran
• 2-HYDROXYMETHYL-TETRAHYDROFURAN
• 2-oxolanemethanol
• 2-tetrahydrofurylmethanol
• Furfuryl alcohol, tetrahydro-
• NSC 15434
• Oxolan-2-methanol
• QO THFA
• TETRAHYDRO-2-FURANCARBINOL
• TETRAHYDROFURFURYL ALCOHOL
• THFA
• Tetrahydro-2-furanmethanol
• Tetrahydro-2-furanylmethanol
• Tetrahydro-2-furfuryl alcohol
• Tetrahydro-2-furylmethanol
• Tetrahydrofurfurylalkohol
• Tetrahydrofuryl carbinol
• Tetrahydrofurylalkohol
• Tetrahydrofurylmethanol
• «alpha»-Tetrahydrofurfuryl alcohol
• «alpha»-Tetrahydrofurfuryl alcohol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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_fH°_liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-195.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-369.00 ± 6.30	kJ/mol	NIST
ΔfH°liquid	-435.60 ± 5.90	kJ/mol	NIST
ΔfusH°	14.71	kJ/mol	Joback Calculated Property
ΔvapH°	[66.60; 67.00]	kJ/mol
ΔvapH°	67.00 ± 2.00	kJ/mol	NIST
ΔvapH°	66.60	kJ/mol	NIST
log10WS	-0.27		Crippen Calculated Property
logPoct/wat	0.158		Crippen Calculated Property
McVol	82.190	ml/mol	McGowan Calculated Property
Pc	4856.20	kPa	Joback Calculated Property
Inp	[853.00; 916.00]
Inp	874.00		NIST
Inp	916.00		NIST
Inp	884.00		NIST
Inp	853.00		NIST
Inp	878.00		NIST
I	[1494.00; 1501.00]
I	1501.00		NIST
I	1494.00		NIST
I	1496.00		NIST
S°liquid	219.20	J/mol×K	NIST
Tboil	[451.00; 451.20]	K
Tboil	451.20	K	NIST
Tboil	451.00 ± 3.00	K	NIST
Tc	637.66	K	Joback Calculated Property
Tfus	330.00 ± 3.00	K	NIST
Vc	0.296	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[177.23; 233.15]	J/mol×K	[448.21; 637.66]
Cp,gas	177.23	J/mol×K	448.21	Joback Calculated Property
Cp,gas	187.81	J/mol×K	479.78	Joback Calculated Property
Cp,gas	197.87	J/mol×K	511.36	Joback Calculated Property
Cp,gas	207.41	J/mol×K	542.93	Joback Calculated Property
Cp,gas	216.46	J/mol×K	574.51	Joback Calculated Property
Cp,gas	225.03	J/mol×K	606.08	Joback Calculated Property
Cp,gas	233.15	J/mol×K	637.66	Joback Calculated Property
Cp,liquid	190.00	J/mol×K	298.15	NIST
η	[0.0003221; 0.0436528]	Pa×s	[244.40; 448.21]
η	0.0436528	Pa×s	244.40	Joback Calculated Property
η	0.0116912	Pa×s	278.37	Joback Calculated Property
η	0.0041702	Pa×s	312.34	Joback Calculated Property
η	0.0018209	Pa×s	346.30	Joback Calculated Property
η	0.0009219	Pa×s	380.27	Joback Calculated Property
η	0.0005219	Pa×s	414.24	Joback Calculated Property
η	0.0003221	Pa×s	448.21	Joback Calculated Property
ΔvapH	[46.20; 46.50]	kJ/mol	[388.00; 423.00]
ΔvapH	46.50	kJ/mol	388.00	NIST
ΔvapH	46.20	kJ/mol	423.00	NIST
n0	1.45250		293.20	Phase E...
ρl	1050.75	kg/m3	298.15	Self-ag...

Datasets

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
283.15	100.00	1062.84
288.15	100.00	1058.59
293.15	100.00	1054.34
298.15	100.00	1050.06
303.15	100.00	1045.78
308.15	100.00	1041.48
313.15	100.00	1037.17
318.15	100.00	1032.83
323.15	100.00	1028.47
328.15	100.00	1024.08
333.15	100.00	1019.68
338.15	100.00	1015.24
283.15	2500.00	1064.37
288.15	2500.00	1060.15
293.15	2500.00	1055.94
298.15	2500.00	1051.72
303.15	2500.00	1047.47
308.15	2500.00	1043.19
313.15	2500.00	1038.92
318.15	2500.00	1034.57
323.15	2500.00	1030.3
328.15	2500.00	1025.88
333.15	2500.00	1021.52
338.15	2500.00	1017.04
283.15	5000.00	1065.68
288.15	5000.00	1061.47
293.15	5000.00	1057.3
298.15	5000.00	1053.11
303.15	5000.00	1048.9
308.15	5000.00	1044.66
313.15	5000.00	1040.41
318.15	5000.00	1036.11
323.15	5000.00	1031.87
328.15	5000.00	1027.49
333.15	5000.00	1023.18
338.15	5000.00	1018.75
283.15	7500.00	1066.97
288.15	7500.00	1062.8
293.15	7500.00	1058.64
298.15	7500.00	1054.48
303.15	7500.00	1050.31
308.15	7500.00	1046.09
313.15	7500.00	1041.89
318.15	7500.00	1037.62
323.15	7500.00	1033.41
328.15	7500.00	1029.13
333.15	7500.00	1024.84
338.15	7500.00	1020.45
283.15	10000.00	1068.24
288.15	10000.00	1064.09
293.15	10000.00	1060.0
298.15	10000.00	1055.84
303.15	10000.00	1051.69
308.15	10000.00	1047.48
313.15	10000.00	1043.41
318.15	10000.00	1039.11
323.15	10000.00	1034.93
328.15	10000.00	1030.63
333.15	10000.00	1026.39
338.15	10000.00	1022.06
283.15	20000.00	1073.16
288.15	20000.00	1069.11
293.15	20000.00	1065.1
298.15	20000.00	1061.08
303.15	20000.00	1057.06
308.15	20000.00	1052.96
313.15	20000.00	1048.93
318.15	20000.00	1044.81
323.15	20000.00	1040.79
328.15	20000.00	1036.6
333.15	20000.00	1032.49
338.15	20000.00	1028.31
283.15	30000.00	1077.84
288.15	30000.00	1073.88
293.15	30000.00	1069.97
298.15	30000.00	1066.04
303.15	30000.00	1062.11
308.15	30000.00	1058.12
313.15	30000.00	1054.21
318.15	30000.00	1050.15
323.15	30000.00	1046.28
328.15	30000.00	1042.2
333.15	30000.00	1038.22
338.15	30000.00	1034.16
283.15	40000.00	1082.28
288.15	40000.00	1078.41
293.15	40000.00	1074.62
298.15	40000.00	1070.75
303.15	40000.00	1066.94
308.15	40000.00	1063.05
313.15	40000.00	1059.19
318.15	40000.00	1055.24
323.15	40000.00	1051.44
328.15	40000.00	1047.5
333.15	40000.00	1043.64
338.15	40000.00	1039.68
283.15	50000.00	1086.55
288.15	50000.00	1082.72
293.15	50000.00	1078.97
298.15	50000.00	1075.22
303.15	50000.00	1071.49
308.15	50000.00	1067.61
313.15	50000.00	1063.91
318.15	50000.00	1060.12
323.15	50000.00	1056.41
328.15	50000.00	1052.52
333.15	50000.00	1048.73
338.15	50000.00	1044.89
283.15	60000.00	1090.57
288.15	60000.00	1086.83
293.15	60000.00	1083.18
298.15	60000.00	1079.49
303.15	60000.00	1075.79
308.15	60000.00	1072.09
313.15	60000.00	1068.44
318.15	60000.00	1064.68
323.15	60000.00	1061.07
328.15	60000.00	1057.3
333.15	60000.00	1053.6
338.15	60000.00	1049.83
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[335.84; 477.57]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.79248e+01
Coefficient B			-6.27566e+03
Coefficient C			1.99750e+01
Temperature range, min.			335.84
Temperature range, max.			477.57
Pvap	1.33	kPa	335.84	Calculated Property
Pvap	2.81	kPa	351.59	Calculated Property
Pvap	5.59	kPa	367.34	Calculated Property
Pvap	10.53	kPa	383.08	Calculated Property
Pvap	18.92	kPa	398.83	Calculated Property
Pvap	32.56	kPa	414.58	Calculated Property
Pvap	53.96	kPa	430.33	Calculated Property
Pvap	86.41	kPa	446.07	Calculated Property
Pvap	134.19	kPa	461.82	Calculated Property
Pvap	202.66	kPa	477.57	Calculated Property
Pvap	[3.63e-07; 4314.07]	kPa	[193.00; 639.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.92241e+01
Coefficient B			-9.24652e+03
Coefficient C			-1.07177e+01
Coefficient D			6.98190e-06
Temperature range, min.			193.00
Temperature range, max.			639.00
Pvap	3.63e-07	kPa	193.00	Calculated Property
Pvap	6.49e-04	kPa	242.56	Calculated Property
Pvap	0.07	kPa	292.11	Calculated Property
Pvap	1.57	kPa	341.67	Calculated Property
Pvap	14.60	kPa	391.22	Calculated Property
Pvap	77.32	kPa	440.78	Calculated Property
Pvap	283.82	kPa	490.33	Calculated Property
Pvap	815.52	kPa	539.89	Calculated Property
Pvap	1984.73	kPa	589.44	Calculated Property
Pvap	4314.07	kPa	639.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Furanmethanol, tetrahydro-.

Mixtures

• 2-Furanmethanol, tetrahydro- + Water
• 2-Furanmethanol, tetrahydro- + Cyclohexane + Water
• Cyclohexanol + 2-Furanmethanol, tetrahydro- + Water
• 2-Furanmethanol, tetrahydro- + Acetic acid, cyclohexyl ester + Water
• 2-Furanmethanol, tetrahydro- + Benzene, chloro- + Water
• 2-Furanmethanol, tetrahydro- + 1-Hexanol + Water

Sources

• KDB Pure (Korean Thermophysical Properties Databank)
• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Phase equilibria for ternary liquid systems of (water + carboxylic acid or alcohol + 1-hexanol) at T = 293.15 K: modelling considerations
• Self-aggregation of liquids from biomass in aqueous solution
• Phase Equilibria for the Ternary Liquid Systems of (Water + Tetrahydrofurfuryl Alcohol + Cyclic Solvent) at 298.2 K
• Thermophysical Properties of Furfural Compounds
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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