Chemical Properties of Serine-lysine-tyrosine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative

InChI

InChI=1S/C29H40F6N4O8/c1-36(26(43)28(30,31)32)15-9-8-10-20(37(2)24(41)22(17-45-5)39(4)27(44)29(33,34)35)23(40)38(3)21(25(42)47-7)16-18-11-13-19(46-6)14-12-18/h11-14,20-22H,8-10,15-17H2,1-7H3

InChI Key

XUMUKDSKWUEAAH-UHFFFAOYSA-N

Formula

C29H40F6N4O8

SMILES

COCC(C(=O)N(C)C(CCCCN(C)C(=O)C(F)(F)F)C(=O)N(C)C(Cc1ccc(OC)cc1)C(=O)OC)N(C)C(=O)C(F)(F)F

Molecular Weight¹

686.64

• 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°	-1390.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-2316.27	kJ/mol	Joback Calculated Property
ΔfusH°	81.24	kJ/mol	Joback Calculated Property
ΔvapH°	123.56	kJ/mol	Joback Calculated Property
log10WS	-3.76		Crippen Calculated Property
logPoct/wat	2.291		Crippen Calculated Property
McVol	471.710	ml/mol	McGowan Calculated Property
Pc	755.57	kPa	Joback Calculated Property
Inp	[3380.00; 3461.00]
Inp	3380.00		NIST
Inp	3461.00		NIST
Inp	3380.00		NIST
Tboil	1268.79	K	Joback Calculated Property
Tc	1659.13	K	Joback Calculated Property
Tfus	865.13	K	Joback Calculated Property
Vc	1.776	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1687.88; 1767.11]	J/mol×K	[1268.79; 1659.13]
Cp,gas	1687.88	J/mol×K	1268.79	Joback Calculated Property
Cp,gas	1702.65	J/mol×K	1333.85	Joback Calculated Property
Cp,gas	1715.81	J/mol×K	1398.90	Joback Calculated Property
Cp,gas	1728.08	J/mol×K	1463.96	Joback Calculated Property
Cp,gas	1740.23	J/mol×K	1529.02	Joback Calculated Property
Cp,gas	1752.99	J/mol×K	1594.08	Joback Calculated Property
Cp,gas	1767.11	J/mol×K	1659.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Serine-lysine-tyrosine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative.

Sources

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

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