Chemical Properties of Citrulline, TMS

InChI

InChI=1S/C15H37N3O3Si3/c1-22(2,3)17-13(14(19)21-24(7,8)9)11-10-12-16-15(20)18-23(4,5)6/h13,17H,10-12H2,1-9H3,(H2,16,18,20)/t13-/m1/s1

InChI Key

XPPZURUXPNOCEH-CYBMUJFWSA-N

Formula

C15H37N3O3Si3

SMILES

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

Molecular Weight¹

391.73

• 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	0.8583		Relay (... Calculated Property
ΔfG°	-110.18	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1057.32	kJ/mol	Relay (... Calculated Property
ΔvapH°	91.26	kJ/mol	Relay (... Calculated Property
IE	8.24	eV	Relay (... Calculated Property
log10WS	-2.03		Relay (... Calculated Property
logPoct/wat	3.072		Crippen Calculated Property
Pc	571.38	kPa	Relay (... Calculated Property ⚠️
Inp	[1836.00; 1836.00]
Inp	1836.00		NIST
Inp	1836.00		NIST
Tboil	573.54	K	Relay (... Calculated Property
Tc	807.03	K	Relay (... Calculated Property
Tfus	360.07	K	Relay (... Calculated Property
Vc	1.255	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Citrulline, 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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