Chemical Properties of 2-(Diacetoxymethyl)-5-nitrofuran (CAS 92-55-7)

InChI

InChI=1S/C9H9NO7/c1-5(11)15-9(16-6(2)12)7-3-4-8(17-7)10(13)14/h3-4,9H,1-2H3

InChI Key

HSXKWKJCZNRMJO-UHFFFAOYSA-N

Formula

C9H9NO7

SMILES

CC(=O)OC(OC(C)=O)c1ccc([N+](=O)[O-])o1

Molecular Weight¹

243.17

CAS

92-55-7

Other Names

5-Nitro-2-furaldehyde diacetate
5-Nitrofurfurylidene diacetate
5-Nitrofurfural diacetate
Methanediol, (5-nitro-2-furanyl)-, diacetate
Methanediol, (5-nitro-2-furanyl)-, diacetate (ester)
Nitrofuraldehyde diacetate
2-Furanmethanediol, 5-nitro-, diacetate
5-Nitro-2-furancarboxaldehyde diacetate
5-Nitro-2-furanmethandiol diacetate
5-Nitro-2-furanmethanediol diacetate
5-Nitro-2-furfural diacetate
5-Nitro-2-furfuraldehyde diacetate
5-Nitrofuraldehyde diacetate
Methanediol, 1-(5-nitro-2-furanyl)-, 1,1-diacetate
NSC 5411

Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
Δ_subH : Enthalpy of sublimation 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).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
Δ_cH°_solid	-3930.00 ± 0.80	kJ/mol	NIST
Δ_fH°_gas	-772.00 ± 3.00	kJ/mol	NIST
Δ_fH°_solid	-897.90 ± 0.80	kJ/mol	NIST
log₁₀WS	-6.59		Crippen Calculated Property
logP_oct/wat	1.313		Crippen Calculated Property
McVol	156.380	ml/mol	McGowan Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Δ_subH	126.00 ± 3.00	kJ/mol	288.00	NIST

Similar Compounds

Find more compounds similar to 2-(Diacetoxymethyl)-5-nitrofuran.

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