Chemical Properties of Homocysteine, ethoxycarbonylated, TBDMS

InChI

InChI=1S/C19H41NO4SSi2/c1-12-23-17(22)20-15(13-14-25-27(10,11)19(5,6)7)16(21)24-26(8,9)18(2,3)4/h15H,12-14H2,1-11H3,(H,20,22)

InChI Key

FSVJRKGPOJDECV-UHFFFAOYSA-N

Formula

C19H41NO4SSi2

SMILES

CCOC(=O)NC(CCS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C

Molecular Weight¹

435.77

• 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	0.7847		Relay (1.0) Calculated Property
ΔfG°	-284.52	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1199.98	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	83.20	kJ/mol	Relay (1.0) Calculated Property
IE	8.20	eV	Relay (1.0) Calculated Property
log10WS	-4.24		Relay (1.0) Calculated Property
logPoct/wat	5.778		Crippen Calculated Property
Pc	1120.36	kPa	Relay (1.0-beta) Calculated Property
Inp	[2260.00; 2260.00]
Inp	2260.00		NIST
Inp	2260.00		NIST
Tboil	600.28	K	Relay (1.0) Calculated Property
Tc	833.99	K	Relay (1.0) Calculated Property
Tfus	351.00	K	Relay (1.0) Calculated Property
Vc	1.343	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Homocysteine, ethoxycarbonylated, TBDMS.

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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