Chemical Properties of 3-NITRO-2-BUTANOL

InChI

InChI=1S/C4H9NO3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3

InChI Key

OJVOGABFNZDOOZ-UHFFFAOYSA-N

Formula

C4H9NO3

SMILES

CC(O)C(C)[N+](=O)[O-]

Molecular Weight¹

119.12

Other Names

• 2-Butanol, 3-nitro-
• 2-Nitrobutan-3-ol
• 3-nitrobutan-2-ol

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• IE : Ionization energy (eV).
• 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_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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,gas	[210.96; 254.74]	J/mol×K	[534.06; 737.07]
Cp,gas	210.96	J/mol×K	534.06	Joback Calculated Property
Cp,gas	219.34	J/mol×K	567.89	Joback Calculated Property
Cp,gas	227.26	J/mol×K	601.73	Joback Calculated Property
Cp,gas	234.75	J/mol×K	635.56	Joback Calculated Property
Cp,gas	241.82	J/mol×K	669.40	Joback Calculated Property
Cp,gas	248.47	J/mol×K	703.23	Joback Calculated Property
Cp,gas	254.74	J/mol×K	737.07	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 3-NITRO-2-BUTANOL.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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.