Chemical Properties of Creatinine, TMS

InChI

InChI=1S/C10H23N3OSi2/c1-13-8-9(14-16(5,6)7)11-10(13)12-15(2,3)4/h8H2,1-7H3/b12-10+

InChI Key

VRTXDBYUEQGXBD-ZRDIBKRKSA-N

Formula

C10H23N3OSi2

SMILES

CN1CC(O[Si](C)(C)C)=NC1=N[Si](C)(C)C

Molecular Weight¹

257.48

• 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	0.5227		Relay (1.0) Calculated Property
ΔfG°	196.17	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-361.92	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	62.67	kJ/mol	Relay (1.0) Calculated Property
IE	8.40	eV	Relay (1.0) Calculated Property
log10WS	-2.19		Relay (1.0) Calculated Property
logPoct/wat	2.373		Crippen Calculated Property
Pc	1478.02	kPa	Relay (1.0-beta) Calculated Property
Inp	[1570.00; 1570.00]
Inp	1570.00		NIST
Inp	1570.00		NIST
Tboil	504.43	K	Relay (1.0) Calculated Property
Tc	712.40	K	Relay (1.0) Calculated Property
Tfus	333.32	K	Relay (1.0) Calculated Property
Vc	0.849	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Creatinine, 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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