Chemical Properties of 3-Isopropoxypropylamine (CAS 2906-12-9)

InChI

InChI=1S/C6H15NO/c1-6(2)8-5-3-4-7/h6H,3-5,7H2,1-2H3

InChI Key

VHYUNSUGCNKWSO-UHFFFAOYSA-N

Formula

C6H15NO

SMILES

CC(C)OCCCN

Molecular Weight¹

117.19

CAS

2906-12-9

Other Names

• 3-Isopropoxy-n-propylamine
• 1-Propanamine, 3-(1-methylethoxy)-
• Isopropoxypropylamine
• Propylamine, 3-isopropoxy-
• 3-(1-Methylethoxy)-1-propanamine
• 3-Isopropoxy-1-propylamine

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[168.23; 383.88]	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			2.77430e+01
Coefficient B			5.78440e-01
Coefficient C			-2.38200e-04
Coefficient D			1.59000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	168.23	J/mol×K	273.00	Calculated Property
Cp,gas	203.27	J/mol×K	353.78	Calculated Property
Cp,gas	235.43	J/mol×K	434.56	Calculated Property
Cp,gas	264.75	J/mol×K	515.33	Calculated Property
Cp,gas	291.28	J/mol×K	596.11	Calculated Property
Cp,gas	315.08	J/mol×K	676.89	Calculated Property
Cp,gas	336.18	J/mol×K	757.67	Calculated Property
Cp,gas	354.65	J/mol×K	838.44	Calculated Property
Cp,gas	370.54	J/mol×K	919.22	Calculated Property
Cp,gas	383.88	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3-Isopropoxypropylamine.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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