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

InChI

InChI=1S/C14H25NO4S/c1-13(2,3)11(17)15-9(10(16)19-7)8-20-12(18)14(4,5)6/h9H,8H2,1-7H3,(H,15,17)

InChI Key

HZRYTLGAZBMHFD-UHFFFAOYSA-N

Formula

C14H25NO4S

SMILES

COC(=O)C(CSC(=O)C(C)(C)C)NC(=O)C(C)(C)C

Molecular Weight¹

303.42

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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	0.6203		Relay (1.0) Calculated Property
ΔfG°	-299.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-882.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.88	kJ/mol	Joback Calculated Property
ΔvapH°	83.95	kJ/mol	Relay (1.0) Calculated Property
IE	8.97	eV	Relay (1.0) Calculated Property
log10WS	-3.07		Relay (1.0) Calculated Property
logPoct/wat	1.996		Crippen Calculated Property
McVol	245.030	ml/mol	McGowan Calculated Property
Pc	1867.55	kPa	Joback Calculated Property
Inp	[1832.00; 1832.00]
Inp	1832.00		NIST
Inp	1832.00		NIST
Tboil	558.34	K	Relay (1.0) Calculated Property
Tc	772.44	K	Relay (1.0) Calculated Property
Tfus	337.69	K	Relay (1.0) Calculated Property
Vc	0.880	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[733.50; 802.24]	J/mol×K	[815.80; 1032.31]
Cp,gas	733.50	J/mol×K	815.80	Joback Calculated Property
Cp,gas	747.47	J/mol×K	851.88	Joback Calculated Property
Cp,gas	760.37	J/mol×K	887.97	Joback Calculated Property
Cp,gas	772.23	J/mol×K	924.05	Joback Calculated Property
Cp,gas	783.13	J/mol×K	960.14	Joback Calculated Property
Cp,gas	793.12	J/mol×K	996.22	Joback Calculated Property
Cp,gas	802.24	J/mol×K	1032.31	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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