Chemical Properties of 1,3-Propanediol, 2-amino-1-(4-nitrophenyl)- (CAS 119-62-0)

InChI

InChI=1S/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2

InChI Key

OCYJXSUPZMNXEN-UHFFFAOYSA-N

Formula

C9H12N2O4

SMILES

NC(CO)C(O)c1ccc([N+](=O)[O-])cc1

Molecular Weight¹

212.20

CAS

119-62-0

Other Names

• 1-(p-Nitrophenyl)-2-amino-1,3-propanediol
• 1,3-Propanediol, 2-amino-1-(p-nitrophenyl)-
• Phenylpropanol, «alpha»-amino-«beta»-hydroxy-4-nitro-
• 2-amino-1-(4-nitrophenyl)propane-1,3-diol

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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	[452.77; 492.44]	J/mol×K	[844.83; 1064.91]
Cp,gas	452.77	J/mol×K	844.83	Joback Calculated Property
Cp,gas	460.81	J/mol×K	881.51	Joback Calculated Property
Cp,gas	468.22	J/mol×K	918.19	Joback Calculated Property
Cp,gas	475.04	J/mol×K	954.87	Joback Calculated Property
Cp,gas	481.33	J/mol×K	991.55	Joback Calculated Property
Cp,gas	487.11	J/mol×K	1028.23	Joback Calculated Property
Cp,gas	492.44	J/mol×K	1064.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Propanediol, 2-amino-1-(4-nitrophenyl)-.

Sources

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

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