Chemical Properties of Homocystine, TMS # 1

InChI

InChI=1S/C20H48N2O4S2Si4/c1-29(2,3)21-17(19(23)25-31(7,8)9)13-15-27-28-16-14-18(22-30(4,5)6)20(24)26-32(10,11)12/h17-18,21-22H,13-16H2,1-12H3

InChI Key

VVODJOVRLCDBOE-UHFFFAOYSA-N

Formula

C20H48N2O4S2Si4

SMILES

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

Molecular Weight¹

557.08

• 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	0.9148		Relay (... Calculated Property
ΔfG°	-251.19	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1329.71	kJ/mol	Relay (... Calculated Property
ΔvapH°	100.56	kJ/mol	Relay (... Calculated Property
IE	8.30	eV	Relay (... Calculated Property
log10WS	-3.33		Relay (... Calculated Property
logPoct/wat	5.490		Crippen Calculated Property
Pc	-85.92	kPa	Relay (... Calculated Property ⚠️
Inp	[2493.00; 2493.00]
Inp	2493.00		NIST
Inp	2493.00		NIST
Tboil	648.65	K	Relay (... Calculated Property
Tc	841.21	K	Relay (... Calculated Property
Tfus	325.20	K	Relay (... Calculated Property
Vc	1.698	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Homocystine, TMS # 1.

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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