5-Hydroxymethylfurfural (CAS 67-47-0)

InChI

InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2

InChI Key

NOEGNKMFWQHSLB-UHFFFAOYSA-N

Formula

C6H6O3

SMILES

O=Cc1ccc(CO)o1

Molecular Weight¹

126.11

CAS

67-47-0

Other Names

2-Furaldehyde, 5-(hydroxymethyl)-
2-Furancarboxaldehyde, 5-(hydroxymethyl)-
2-Hydroxymethyl-5-furfural
5-(Hyddroxymethyl)furfurole
5-(Hydroxymethyl)-2-formylfuran
5-(Hydroxymethyl)-2-furancarbonal
5-(Hydroxymethyl)-2-furancarboxaldehyde
5-(Hydroxymethyl)-2-furfural
5-(Hydroxymethyl)-2-furfuraldehyde
5-(Hydroxymethyl)furan-2-aldehyde
5-(hydroxymethyl)-2-furaldehyde
5-(hydroxymethyl)furan-2-carbaldehyde
5-Hydroxymethyl-2-furancarbaldehyde
5-Hydroxymethyl-2-furfural (HMF)
5-Hydroxymethylfuraldehyde
5-Hydroxymethylfurfuraldehyde
5-Oxymethylfurfurole
HMF
Hydroxymethylfurfural
Hydroxymethylfurfuralaldehyde
Hydroxymethylfurfuraldehyde
NSC 40738

Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
I_np : Non-polar retention indices.
I : Polar retention indices.
T_boilr : Boiling point at reduced pressure (K).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
Δ_vapH°	83.40 ± 0.20	kJ/mol	NIST
log₁₀WS	-5.59		Crippen Calculated Property
logP_oct/wat	0.584		Crippen Calculated Property
McVol	89.250	ml/mol	McGowan Calculated Property
I_np	[1188.00; 1270.00]
I_np	1267.00		NIST
I_np	1270.00		NIST
I_np	1236.00		NIST
I_np	1224.00		NIST
I_np	1208.00		NIST
I_np	1233.20		NIST
I_np	1200.00		NIST
I_np	1218.00		NIST
I_np	1234.00		NIST
I_np	1230.00		NIST
I_np	1230.00		NIST
I_np	1230.00		NIST
I_np	1238.00		NIST
I_np	1226.00		NIST
I_np	1241.00		NIST
I_np	1261.00		NIST
I_np	1200.00		NIST
I_np	1200.00		NIST
I_np	1195.00		NIST
I_np	1196.00		NIST
I_np	1256.00		NIST
I_np	1228.00		NIST
I_np	1225.00		NIST
I_np	1231.00		NIST
I_np	1224.00		NIST
I_np	1252.00		NIST
I_np	1235.00		NIST
I_np	1266.00		NIST
I_np	1252.00		NIST
I_np	1188.00		NIST
I_np	1270.00		NIST
I_np	1233.20		NIST
I_np	1218.00		NIST
I_np	1238.00		NIST
I_np	1200.00		NIST
I_np	1236.00		NIST
I_np	1267.00		NIST
I_np	1225.00		NIST
I_np	1266.00		NIST
I	[2466.00; 2537.00]
I	2496.00		NIST
I	2526.00		NIST
I	2496.00		NIST
I	2513.00		NIST
I	2485.00		NIST
I	2532.00		NIST
I	2509.00		NIST
I	2492.00		NIST
I	2493.00		NIST
I	2493.00		NIST
I	2494.00		NIST
I	2495.00		NIST
I	2501.00		NIST
I	2528.00		NIST
I	2537.00		NIST
I	2487.00		NIST
I	2474.00		NIST
I	2530.00		NIST
I	2482.00		NIST
I	2469.00		NIST
I	2536.00		NIST
I	2512.00		NIST
I	2505.00		NIST
I	2490.00		NIST
I	2485.00		NIST
I	2515.00		NIST
I	2509.00		NIST
I	Outlier 2466.00		NIST
I	2528.00		NIST
I	2515.00		NIST
I	2511.00		NIST
I	2501.00		NIST
I	2530.00		NIST
I	2505.00		NIST
I	2509.00		NIST
I	2495.00		NIST
I	2496.00		NIST
I	2532.00		NIST
I	2485.00		NIST
I	2515.00		NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Δ_fusH	19.80	kJ/mol	308.50	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
T_boilr	388.20	K	0.10	NIST

Similar Compounds

Find more compounds similar to 5-Hydroxymethylfurfural.

Mixtures

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.