Chemical Properties of L-Cysteine, N,S-di(trifluoroacetyl)-, 2,2,3,3,3-pentafluoropropyl ester

InChI

InChI=1S/C10H6F11NO4S/c11-7(12,10(19,20)21)2-26-4(23)3(22-5(24)8(13,14)15)1-27-6(25)9(16,17)18/h3H,1-2H2,(H,22,24)

InChI Key

DCQLIBWHNMOBAW-UHFFFAOYSA-N

Formula

C10H6F11NO4S

SMILES

O=C(OCC(F)(F)C(F)(F)F)C(CSC(=O)C(F)(F)F)NC(=O)C(F)(F)F

Molecular Weight¹

445.21

• 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°	-2469.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-2821.84	kJ/mol	Joback Calculated Property
ΔfusH°	37.57	kJ/mol	Joback Calculated Property
ΔvapH°	59.20	kJ/mol	Joback Calculated Property
log10WS	-3.91		Crippen Calculated Property
logPoct/wat	2.596		Crippen Calculated Property
McVol	208.140	ml/mol	McGowan Calculated Property
Pc	1755.07	kPa	Joback Calculated Property
Inp	[1140.50; 1140.50]
Inp	1140.50		NIST
Inp	1140.50		NIST
Tboil	709.79	K	Joback Calculated Property
Tc	881.38	K	Joback Calculated Property
Tfus	462.71	K	Joback Calculated Property
Vc	0.869	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[610.30; 650.92]	J/mol×K	[709.79; 881.38]
Cp,gas	610.30	J/mol×K	709.79	Joback Calculated Property
Cp,gas	618.70	J/mol×K	738.39	Joback Calculated Property
Cp,gas	626.38	J/mol×K	766.99	Joback Calculated Property
Cp,gas	633.40	J/mol×K	795.59	Joback Calculated Property
Cp,gas	639.79	J/mol×K	824.18	Joback Calculated Property
Cp,gas	645.61	J/mol×K	852.78	Joback Calculated Property
Cp,gas	650.92	J/mol×K	881.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Cysteine, N,S-di(trifluoroacetyl)-, 2,2,3,3,3-pentafluoropropyl ester.

Sources

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

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