Chemical Properties of Diacetyl, PFBO # 1

InChI

InChI=1S/C18H10F10N2O2/c1-5(29-31-3-7-9(19)13(23)17(27)14(24)10(7)20)6(2)30-32-4-8-11(21)15(25)18(28)16(26)12(8)22/h3-4H2,1-2H3

InChI Key

FJVTVBQIHZZDBE-UHFFFAOYSA-N

Formula

C18H10F10N2O2

SMILES

CC(=NOCc1c(F)c(F)c(F)c(F)c1F)C(C)=NOCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

476.27

• 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.
• I : 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	0.9370		Relay (... Calculated Property
ΔfG°	-1275.86	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1394.79	kJ/mol	Relay (... Calculated Property
ΔvapH°	98.24	kJ/mol	Relay (... Calculated Property
IE	8.88	eV	Relay (... Calculated Property
log10WS	-8.87		Relay (... Calculated Property
logPoct/wat	5.563		Crippen Calculated Property
McVol	257.760	ml/mol	McGowan Calculated Property
Pc	1028.60	kPa	Joback Calculated Property
Inp	[1319.00; 1319.00]
Inp	1319.00		NIST
Inp	1319.00		NIST
I	1761.00		NIST
Tboil	601.94	K	Relay (... Calculated Property
Tc	794.92	K	Relay (... Calculated Property
Tfus	388.82	K	Relay (... Calculated Property
Vc	0.965	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Diacetyl, PFBO # 1.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.