Chemical Properties of 2-Nitro-2-isopropyl-1,3-propanediol (CAS 62155-31-1)

InChI

InChI=1S/C6H13NO4/c1-5(2)6(3-8,4-9)7(10)11/h5,8-9H,3-4H2,1-2H3

InChI Key

UREFUUVULNQGAM-UHFFFAOYSA-N

Formula

C6H13NO4

SMILES

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

Molecular Weight¹

163.17

CAS

62155-31-1

• 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	[346.53; 391.04]	J/mol×K	[669.21; 862.16]
Cp,gas	346.53	J/mol×K	669.21	Joback Calculated Property
Cp,gas	355.16	J/mol×K	701.37	Joback Calculated Property
Cp,gas	363.26	J/mol×K	733.53	Joback Calculated Property
Cp,gas	370.87	J/mol×K	765.68	Joback Calculated Property
Cp,gas	378.01	J/mol×K	797.84	Joback Calculated Property
Cp,gas	384.72	J/mol×K	830.00	Joback Calculated Property
Cp,gas	391.04	J/mol×K	862.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Nitro-2-isopropyl-1,3-propanediol.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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