Chemical Properties of Djenkolic acid, TMS

InChI

InChI=1S/C19H46N2O4S2Si4/c1-28(2,3)20-16(18(22)24-30(7,8)9)13-26-15-27-14-17(21-29(4,5)6)19(23)25-31(10,11)12/h16-17,20-21H,13-15H2,1-12H3

InChI Key

CIPDTUSMYWZMOW-UHFFFAOYSA-N

Formula

C19H46N2O4S2Si4

SMILES

C[Si](C)(C)NC(CSCSCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C

Molecular Weight¹

543.05

• 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	0.8536		Relay (1.0) Calculated Property
ΔfG°	-258.25	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1300.57	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	99.01	kJ/mol	Relay (1.0) Calculated Property
IE	8.44	eV	Relay (1.0) Calculated Property
log10WS	-3.08		Relay (1.0) Calculated Property
logPoct/wat	4.753		Crippen Calculated Property
Pc	-30.16	kPa	Relay (1.0-beta) Calculated Property
Inp	[2458.00; 2458.00]
Inp	2458.00		NIST
Inp	2458.00		NIST
Tboil	646.29	K	Relay (1.0) Calculated Property
Tc	839.68	K	Relay (1.0) Calculated Property
Tfus	326.86	K	Relay (1.0) Calculated Property
Vc	1.637	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Djenkolic acid, 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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