Chemical Properties of N-(3-Phenoxy-2-hydroxypropyl)-butylamine (CAS 3246-04-6)

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

223.31

CAS

3246-04-6

• 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_subH : Enthalpy of sublimation at a given temperature (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	[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

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

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