Chemical Properties of 4H-3,1-Benzoxazine-4-one, 2-heptafluoropropyl-

InChI

InChI=1S/C11H4F7NO2/c12-9(13,10(14,15)11(16,17)18)8-19-6-4-2-1-3-5(6)7(20)21-8/h1-4H

InChI Key

LEJAJVFLTGIPPE-UHFFFAOYSA-N

Formula

C11H4F7NO2

SMILES

O=c1oc(C(F)(F)C(F)(F)C(F)(F)F)nc2ccccc12

Molecular Weight¹

315.14

• 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	0.5574		Relay (1.0) Calculated Property
ΔfG°	-1397.15	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1628.89	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	79.16	kJ/mol	Relay (1.0) Calculated Property
IE	10.00	eV	Relay (1.0) Calculated Property
log10WS	-4.82		Relay (1.0) Calculated Property
logPoct/wat	3.477		Crippen Calculated Property
McVol	156.740	ml/mol	McGowan Calculated Property
Pc	2133.21	kPa	Relay (1.0-beta) Calculated Property
Inp	[1266.00; 1266.00]
Inp	1266.00		NIST
Inp	1266.00		NIST
Tboil	538.87	K	Relay (1.0) Calculated Property
Tc	727.82	K	Relay (1.0) Calculated Property
Tfus	299.59	K	Relay (1.0) Calculated Property
Vc	0.602	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 4H-3,1-Benzoxazine-4-one, 2-heptafluoropropyl-.

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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