Chemical Properties of 2-(hydroxymethyl)-6-(3-nitrophenoxy)oxane-3,4,5-triol

InChI

InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-2-6(4-7)13(18)19/h1-4,8-12,14-17H,5H2

InChI Key

VCCMGHVCRFMITI-UHFFFAOYSA-N

Formula

C12H15NO8

SMILES

O=[N+]([O-])c1cccc(OC2OC(CO)C(O)C(O)C2O)c1

Molecular Weight¹

301.25

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : 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).
• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[700.82; 711.81]	J/mol×K	[1076.42; 1318.89]
Cp,gas	700.82	J/mol×K	1076.42	Joback Calculated Property
Cp,gas	705.74	J/mol×K	1116.83	Joback Calculated Property
Cp,gas	709.21	J/mol×K	1157.24	Joback Calculated Property
Cp,gas	711.23	J/mol×K	1197.66	Joback Calculated Property
Cp,gas	711.81	J/mol×K	1238.07	Joback Calculated Property
Cp,gas	710.97	J/mol×K	1278.48	Joback Calculated Property
Cp,gas	708.71	J/mol×K	1318.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-(hydroxymethyl)-6-(3-nitrophenoxy)oxane-3,4,5-triol.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method

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