Chemical Properties of Ftorafur, TMS

InChI

InChI=1S/C11H17FN2O3Si/c1-18(2,3)17-10-8(12)7-14(11(15)13-10)9-5-4-6-16-9/h7,9H,4-6H2,1-3H3

InChI Key

STWOABMRTGNUOL-UHFFFAOYSA-N

Formula

C11H17FN2O3Si

SMILES

C[Si](C)(C)Oc1nc(=O)n(C2CCCO2)cc1F

Molecular Weight¹

272.35

• 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.
• 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	0.5882		Relay (... Calculated Property
ΔfG°	-209.74	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-791.92	kJ/mol	Relay (... Calculated Property
ΔvapH°	86.66	kJ/mol	Relay (... Calculated Property
IE	9.62	eV	Relay (... Calculated Property
log10WS	-1.63		Relay (... Calculated Property
logPoct/wat	1.905		Crippen Calculated Property
Pc	1677.02	kPa	Relay (... Calculated Property ⚠️
Inp	[1318.70; 1318.70]
Inp	1318.70		NIST
Inp	1318.70		NIST
Tboil	584.42	K	Relay (... Calculated Property
Tc	796.30	K	Relay (... Calculated Property
Tfus	345.97	K	Relay (... Calculated Property
Vc	0.763	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Ftorafur, TMS.

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
• NIST Webbook

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