Chemical Properties of D-Cysteine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester

InChI

InChI=1S/C14H25NO6S/c1-6-19-13(17)15-11(8-22-14(18)20-7-2)12(16)21-10(5)9(3)4/h9-11H,6-8H2,1-5H3,(H,15,17)/t10-,11?/m1/s1

InChI Key

PAEBNKSBIBNKLW-NFJWQWPMSA-N

Formula

C14H25NO6S

SMILES

CCOC(=O)NC(CSC(=O)OCC)C(=O)OC(C)C(C)C

Molecular Weight¹

335.42

• 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).
• 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
ΔfG°	-519.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-987.19	kJ/mol	Joback Calculated Property
ΔfusH°	39.04	kJ/mol	Joback Calculated Property
ΔvapH°	86.31	kJ/mol	Joback Calculated Property
log10WS	-3.28		Crippen Calculated Property
logPoct/wat	2.579		Crippen Calculated Property
McVol	256.770	ml/mol	McGowan Calculated Property
Pc	1780.34	kPa	Joback Calculated Property
Inp	[2066.10; 2066.10]
Inp	2066.10		NIST
Inp	2066.10		NIST
Tboil	866.22	K	Joback Calculated Property
Tc	1073.72	K	Joback Calculated Property
Tfus	506.08	K	Joback Calculated Property
Vc	0.963	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[786.30; 844.85]	J/mol×K	[866.22; 1073.72]
Cp,gas	786.30	J/mol×K	866.22	Joback Calculated Property
Cp,gas	799.18	J/mol×K	900.80	Joback Calculated Property
Cp,gas	810.83	J/mol×K	935.39	Joback Calculated Property
Cp,gas	821.24	J/mol×K	969.97	Joback Calculated Property
Cp,gas	830.39	J/mol×K	1004.55	Joback Calculated Property
Cp,gas	838.26	J/mol×K	1039.14	Joback Calculated Property
Cp,gas	844.85	J/mol×K	1073.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to D-Cysteine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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