Chemical Properties of 1-Nitro-2-propanol (CAS 3156-73-8)

InChI

InChI=1S/C3H7NO3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3

InChI Key

PFNCKQIYLAVYJF-UHFFFAOYSA-N

Formula

C3H7NO3

SMILES

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

Molecular Weight¹

105.09

CAS

3156-73-8

Other Names

• 2-Propanol, 1-nitro-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[108.48; 239.54]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			9.26100e+00
Coefficient B			4.28080e-01
Coefficient C			-2.51400e-04
Coefficient D			5.36000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	108.48	J/mol×K	273.00	Calculated Property
Cp,gas	131.61	J/mol×K	353.78	Calculated Property
Cp,gas	152.21	J/mol×K	434.56	Calculated Property
Cp,gas	170.44	J/mol×K	515.33	Calculated Property
Cp,gas	186.46	J/mol×K	596.11	Calculated Property
Cp,gas	200.46	J/mol×K	676.89	Calculated Property
Cp,gas	212.60	J/mol×K	757.67	Calculated Property
Cp,gas	223.04	J/mol×K	838.44	Calculated Property
Cp,gas	231.97	J/mol×K	919.22	Calculated Property
Cp,gas	239.54	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Nitro-2-propanol.

Sources

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

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