Chemical Properties of Cycluron, HFBA

InChI

InChI=1S/C15H21F7N2O2/c1-23(2)12(26)24(10-8-6-4-3-5-7-9-10)11(25)13(16,17)14(18,19)15(20,21)22/h10H,3-9H2,1-2H3

InChI Key

DYNXJNPBXVDLSI-UHFFFAOYSA-N

Formula

C15H21F7N2O2

SMILES

CN(C)C(=O)N(C(=O)C(F)(F)C(F)(F)C(F)(F)F)C1CCCCCCC1

Molecular Weight¹

394.33

• 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_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).
• 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
ΔfG°	-1315.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-1800.05	kJ/mol	Joback Calculated Property
ΔfusH°	30.80	kJ/mol	Joback Calculated Property
ΔvapH°	57.73	kJ/mol	Joback Calculated Property
log10WS	-5.07		Crippen Calculated Property
logPoct/wat	4.442		Crippen Calculated Property
McVol	246.840	ml/mol	McGowan Calculated Property
Pc	1551.22	kPa	Joback Calculated Property
Inp	[1719.00; 1719.00]
Inp	1719.00		NIST
Inp	1719.00		NIST
Tboil	688.51	K	Joback Calculated Property
Tc	871.81	K	Joback Calculated Property
Tfus	435.34	K	Joback Calculated Property
Vc	0.933	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[761.56; 848.80]	J/mol×K	[688.51; 871.81]
Cp,gas	761.56	J/mol×K	688.51	Joback Calculated Property
Cp,gas	779.00	J/mol×K	719.06	Joback Calculated Property
Cp,gas	795.18	J/mol×K	749.61	Joback Calculated Property
Cp,gas	810.18	J/mol×K	780.16	Joback Calculated Property
Cp,gas	824.07	J/mol×K	810.71	Joback Calculated Property
Cp,gas	836.92	J/mol×K	841.26	Joback Calculated Property
Cp,gas	848.80	J/mol×K	871.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cycluron, HFBA.

Sources

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

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