Chemical Properties of 2-phenyl-4-pentyl-tetrahydro-1,4-oxazine

InChI

InChI=1S/C15H23NO/c1-2-3-7-10-16-11-12-17-15(13-16)14-8-5-4-6-9-14/h4-6,8-9,15H,2-3,7,10-13H2,1H3

InChI Key

MZCPNUOUBRLOEF-UHFFFAOYSA-N

Formula

C15H23NO

SMILES

CCCCCN1CCOC(c2ccccc2)C1

Molecular Weight¹

233.35

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ω	0.5298		Relay (1.0) Calculated Property
ΔfG°	184.40	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-98.24	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	81.50	kJ/mol	Relay (1.0) Calculated Property
IE	8.15	eV	Relay (1.0) Calculated Property
log10WS	-2.20		Relay (1.0) Calculated Property
logPoct/wat	3.250		Crippen Calculated Property
McVol	203.440	ml/mol	McGowan Calculated Property
Pc	1971.18	kPa	Relay (1.0-beta) Calculated Property
Inp	[1800.30; 1803.10]
Inp	1803.10		NIST
Inp	1802.60		NIST
Inp	1800.30		NIST
Inp	1803.10		NIST
Tboil	573.94	K	Relay (1.0) Calculated Property
Tc	788.19	K	Relay (1.0) Calculated Property
Tfus	303.82	K	Relay (1.0) Calculated Property
Vc	0.744	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-phenyl-4-pentyl-tetrahydro-1,4-oxazine.

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
• McGowan Method
• NIST Webbook

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