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
• NSC 15434
• Oxolan-2-methanol
• QO THFA
• THFA
• Tetrahydro-2-furanmethanol
• Tetrahydro-2-furfuryl alcohol
• Tetrahydrofurfurylalkohol
• Tetrahydrofuryl carbinol
• Tetrahydrofurylalkohol
• Tetrahydrofurylmethanol
• furfuryl alcohol, tetrahydro-
• tetrahydro-2-furancarbinol
• tetrahydro-2-furanylmethanol
• tetrahydro-2-furylmethanol
• tetrahydrofurfuryl alcohol
• «alpha»-Tetrahydrofurfuryl alcohol

• T_ig : Autoignition Temperature (K).
• 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).
• ε_r : Dielectric Constant (Relative permittivity).
• T_flash,cc : Flash Point (Closed Cup Method) (K).
• 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).
• IE : Ionization energy (eV).
• 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_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).
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
Tig	555.15	K	NCMS SOLV-DB
εr	13.61		NCMS SOLV-DB
Tflash,cc	347.15	K	NCMS SOLV-DB
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°	[51.55; 67.00]	kJ/mol
ΔvapH°	51.55	kJ/mol	NCMS SOLV-DB
ΔvapH°	67.00 ± 2.00	kJ/mol	NIST
ΔvapH°	66.60	kJ/mol	NIST
IE	9.72	eV	Relay (1.0) Calculated Property
logPoct/wat	-0.346		NCMS SOLV-DB
McVol	82.190	ml/mol	McGowan Calculated Property
NFPA Fire	2		NCMS SOLV-DB
NFPA Health	2		NCMS SOLV-DB
NFPA Safety	0		NCMS SOLV-DB
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	451.15	K	NCMS SOLV-DB
Tboil	451.20	K	NIST
Tboil	451.00 ± 3.00	K	NIST
Tfus	[330.00; 353.15]	K
Tfus	353.15	K	NCMS SOLV-DB
Tfus	330.00 ± 3.00	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	190.00	J/mol×K	298.15	NIST
η	0.0062400	Pa×s	298.15	NCMS SOLV-DB
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
Pvap	0.11	kPa	298.15	NCMS SOLV-DB
n0	[1.44900; 1.45250]		[293.20; 298.15]
n0	1.45250		293.20	Phase Equilibria for the Ternary Liquid Systems of (Water + Tetrahydrofurfuryl Alcohol + Cyclic Solvent) at 298.2 K
n0	1.44900		298.15	NCMS SOLV-DB
ρl	1050.75	kg/m3	298.15	Self-aggregation of liquids from biomass in aqueous solution
γ	0.04	N/m	298.15	NCMS SOLV-DB

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
Cp,gas	[108.19; 298.77]	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			-3.95290e+01
Coefficient B			6.41500e-01
Coefficient C			-3.92100e-04
Coefficient D			8.89000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	108.19	J/mol×K	273.00	Calculated Property
Cp,gas	142.28	J/mol×K	353.78	Calculated Property
Cp,gas	172.49	J/mol×K	434.56	Calculated Property
Cp,gas	199.09	J/mol×K	515.33	Calculated Property
Cp,gas	222.38	J/mol×K	596.11	Calculated Property
Cp,gas	242.61	J/mol×K	676.89	Calculated Property
Cp,gas	260.09	J/mol×K	757.67	Calculated Property
Cp,gas	275.09	J/mol×K	838.44	Calculated Property
Cp,gas	287.89	J/mol×K	919.22	Calculated Property
Cp,gas	298.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[335.84; 477.57]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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 Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			8.92241e+01
Coefficient B			-9.24652e+03
Coefficient C			-1.07177e+01
Coefficient D			6.98190e-06
Coefficient E			0.00000e+00
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- + 1-Hexanol + Water
• 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

Sources

• KDB Vapor Pressure Data
• 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
• 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
• NCMS SOLV-DB
• 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.
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