Chemical Properties of Creatinine, N,N'-di(pentafluoropropionyl)-

InChI

InChI=1S/C10H5F10N3O3/c1-22-2-3(24)23(5(26)8(13,14)10(18,19)20)6(22)21-4(25)7(11,12)9(15,16)17/h2H2,1H3

InChI Key

QEPIGSHFFFKQNB-UHFFFAOYSA-N

Formula

C10H5F10N3O3

SMILES

CN1CC(=O)N(C(=O)C(F)(F)C(F)(F)F)C1=NC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

405.15

• 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	0.6833		Relay (1.0) Calculated Property
ΔfG°	-1938.03	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-2481.24	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	77.91	kJ/mol	Relay (1.0) Calculated Property
IE	9.54	eV	Relay (1.0) Calculated Property
log10WS	-5.52		Relay (1.0) Calculated Property
logPoct/wat	1.565		Crippen Calculated Property
McVol	188.950	ml/mol	McGowan Calculated Property
Pc	1626.36	kPa	Relay (1.0-beta) Calculated Property
Inp	[1889.00; 1889.00]
Inp	1889.00		NIST
Inp	1889.00		NIST
Tboil	485.01	K	Relay (1.0) Calculated Property
Tc	687.10	K	Relay (1.0) Calculated Property
Tfus	378.46	K	Relay (1.0) Calculated Property
Vc	0.747	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Creatinine, N,N'-di(pentafluoropropionyl)-.

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

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.