Chemical Properties of N-(3-Phenoxy-2-hydroxypropyl)-butylamine

InChI

InChI=1S/C13H21NO2/c1-2-3-9-14-10-12(15)11-16-13-7-5-4-6-8-13/h4-8,12,14-15H,2-3,9-11H2,1H3

InChI Key

JCLZQRQJFXFGGK-UHFFFAOYSA-N

Formula

C13H21NO2

SMILES

CCCCNCC(O)COc1ccccc1

Molecular Weight¹

223.32

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[538.44; 611.83]	J/mol×K	[687.85; 877.63]
Cp,gas	538.44	J/mol×K	687.85	Joback Calculated Property
Cp,gas	552.57	J/mol×K	719.48	Joback Calculated Property
Cp,gas	565.90	J/mol×K	751.11	Joback Calculated Property
Cp,gas	578.47	J/mol×K	782.74	Joback Calculated Property
Cp,gas	590.30	J/mol×K	814.37	Joback Calculated Property
Cp,gas	601.41	J/mol×K	846.00	Joback Calculated Property
Cp,gas	611.83	J/mol×K	877.63	Joback Calculated Property
ΔsubH	133.90	kJ/mol	335.50	NIST

Similar Compounds

Find more compounds similar to N-(3-Phenoxy-2-hydroxypropyl)-butylamine.

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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