Chemical Properties of 6-Nitropiperonyl alcohol (CAS 15341-08-9)

InChI

InChI=1S/C8H7NO5/c10-3-5-1-7-8(14-4-13-7)2-6(5)9(11)12/h1-2,10H,3-4H2

InChI Key

XSKQKDTZQNFCCB-UHFFFAOYSA-N

Formula

C8H7NO5

SMILES

O=[N+]([O-])c1cc2c(cc1CO)OCO2

Molecular Weight¹

197.14

CAS

15341-08-9

Other Names

• (6-nitro-1,3-benzodioxol-5-yl)methanol
• 1,3-Benzodioxole-5-methanol, 6-nitro-
• 6-Nitro-3,4-methylenedioxybenzyl alcohol

• 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	[335.90; 376.86]	J/mol×K	[733.39; 967.59]
Cp,gas	335.90	J/mol×K	733.39	Joback Calculated Property
Cp,gas	343.99	J/mol×K	772.42	Joback Calculated Property
Cp,gas	351.50	J/mol×K	811.46	Joback Calculated Property
Cp,gas	358.47	J/mol×K	850.49	Joback Calculated Property
Cp,gas	364.98	J/mol×K	889.53	Joback Calculated Property
Cp,gas	371.09	J/mol×K	928.56	Joback Calculated Property
Cp,gas	376.86	J/mol×K	967.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6-Nitropiperonyl alcohol.

Sources

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

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