Chemical Properties of Allylamine, n,n-bis-(2,3-epoxypropyl)- (CAS 49623-99-6)

InChI

InChI=1S/C9H15NO2/c1-2-3-10(4-8-6-11-8)5-9-7-12-9/h2,8-9H,1,3-7H2

InChI Key

QFTYUIDMHYIRNY-UHFFFAOYSA-N

Formula

C9H15NO2

SMILES

C=CCN(CC1CO1)CC1CO1

Molecular Weight¹

169.22

CAS

49623-99-6

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[189.94; 491.68]	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			-8.48170e+01
Coefficient B			1.25850e+00
Coefficient C			-1.01390e-03
Coefficient D			3.31900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	189.94	J/mol×K	273.00	Calculated Property
Cp,gas	248.21	J/mol×K	353.78	Calculated Property
Cp,gas	297.84	J/mol×K	434.56	Calculated Property
Cp,gas	339.89	J/mol×K	515.33	Calculated Property
Cp,gas	375.41	J/mol×K	596.11	Calculated Property
Cp,gas	405.43	J/mol×K	676.89	Calculated Property
Cp,gas	431.03	J/mol×K	757.67	Calculated Property
Cp,gas	453.23	J/mol×K	838.44	Calculated Property
Cp,gas	473.10	J/mol×K	919.22	Calculated Property
Cp,gas	491.68	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Allylamine, n,n-bis-(2,3-epoxypropyl)-.

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

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