Chemical Properties of l-Cysteine, N,S-bis(capryloyl)-, methyl ester

InChI

InChI=1S/C20H37NO4S/c1-4-6-8-10-12-14-18(22)21-17(20(24)25-3)16-26-19(23)15-13-11-9-7-5-2/h17H,4-16H2,1-3H3,(H,21,22)

InChI Key

YSBKFBXOGRQJQK-UHFFFAOYSA-N

Formula

C20H37NO4S

SMILES

CCCCCCCC(=O)SCC(N=C(O)CCCCCCC)C(=O)OC

Molecular Weight¹

387.58

• 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.
• McVol : McGowan's characteristic volume (ml/mol).
• 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	1.0996		Relay (1.0) Calculated Property
ΔfG°	-282.47	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-976.10	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	130.25	kJ/mol	Relay (1.0) Calculated Property
IE	8.86	eV	Relay (1.0) Calculated Property
log10WS	-4.81		Relay (1.0) Calculated Property
logPoct/wat	5.465		Crippen Calculated Property
McVol	329.570	ml/mol	McGowan Calculated Property
Pc	1102.28	kPa	Joback Calculated Property
Inp	[2925.00; 2925.00]
Inp	2925.00		NIST
Inp	2925.00		NIST
Tboil	649.96	K	Relay (1.0) Calculated Property
Tc	846.24	K	Relay (1.0) Calculated Property
Tfus	361.65	K	Relay (1.0) Calculated Property
Vc	1.177	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to l-Cysteine, N,S-bis(capryloyl)-, methyl ester.

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
• Joback Method
• McGowan Method
• NIST Webbook

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