Chemical Properties of d3-creatinine, tri-TMS

InChI

InChI=1S/C13H31N3OSi3/c1-15-11-12(17-20(8,9)10)16(19(5,6)7)13(15)14-18(2,3)4/h11H,1-10H3/b14-13-/i1D3

InChI Key

LZKCXGZZEBFBHI-MUFUOGHMSA-N

Formula

C13H28D3N3OSi3

SMILES

Cn1cc(O[Si](C)(C)C)n([Si](C)(C)C)c1=N[Si](C)(C)C

Molecular Weight¹

332.68

• 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	0.6511		Relay (1.0) Calculated Property
ΔfG°	263.36	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-500.53	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	62.74	kJ/mol	Relay (1.0) Calculated Property
IE	7.74	eV	Relay (1.0) Calculated Property
log10WS	-2.74		Relay (1.0) Calculated Property
logPoct/wat	3.459		Crippen Calculated Property
Pc	825.33	kPa	Relay (1.0-beta) Calculated Property
Inp	[1570.00; 1570.00]
Inp	1570.00		NIST
Inp	1570.00		NIST
Tboil	541.05	K	Relay (1.0) Calculated Property
Tc	760.54	K	Relay (1.0) Calculated Property
Tfus	359.49	K	Relay (1.0) Calculated Property
Vc	1.115	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to d3-creatinine, tri-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

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.