Chemical Properties of l-Serine, N,O-bis-(2,6-difluorobenzoyl)-, methyl ester

InChI

InChI=1S/C18H13F4NO5/c1-27-17(25)13(23-16(24)14-9(19)4-2-5-10(14)20)8-28-18(26)15-11(21)6-3-7-12(15)22/h2-7,13H,8H2,1H3,(H,23,24)

InChI Key

FKFQYFNFXJNQEB-UHFFFAOYSA-N

Formula

C18H13F4NO5

SMILES

COC(=O)C(COC(=O)c1c(F)cccc1F)NC(=O)c1c(F)cccc1F

Molecular Weight¹

399.29

• 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°	-1002.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-1326.10	kJ/mol	Joback Calculated Property
ΔfusH°	49.97	kJ/mol	Joback Calculated Property
ΔvapH°	90.70	kJ/mol	Joback Calculated Property
log10WS	-4.85		Crippen Calculated Property
logPoct/wat	2.371		Crippen Calculated Property
McVol	250.470	ml/mol	McGowan Calculated Property
Pc	1813.86	kPa	Joback Calculated Property
Inp	[2558.00; 2558.00]
Inp	2558.00		NIST
Inp	2558.00		NIST
Tboil	937.78	K	Joback Calculated Property
Tc	1156.41	K	Joback Calculated Property
Tfus	629.81	K	Joback Calculated Property
Vc	0.983	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[753.79; 790.71]	J/mol×K	[937.78; 1156.41]
Cp,gas	753.79	J/mol×K	937.78	Joback Calculated Property
Cp,gas	762.83	J/mol×K	974.22	Joback Calculated Property
Cp,gas	770.70	J/mol×K	1010.66	Joback Calculated Property
Cp,gas	777.41	J/mol×K	1047.10	Joback Calculated Property
Cp,gas	782.97	J/mol×K	1083.54	Joback Calculated Property
Cp,gas	787.40	J/mol×K	1119.97	Joback Calculated Property
Cp,gas	790.71	J/mol×K	1156.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Serine, N,O-bis-(2,6-difluorobenzoyl)-, methyl ester.

Sources

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

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