Chemical Properties of l-Serine, N,O-bis(2,3,4-trifluorobenzoyl)-, methyl ester

InChI

InChI=1S/C18H11F6NO5/c1-29-18(28)11(25-16(26)7-2-4-9(19)14(23)12(7)21)6-30-17(27)8-3-5-10(20)15(24)13(8)22/h2-5,11H,6H2,1H3,(H,25,26)

InChI Key

PBVWNLNSUIDONC-UHFFFAOYSA-N

Formula

C18H11F6NO5

SMILES

COC(=O)C(COC(=O)c1ccc(F)c(F)c1F)NC(=O)c1ccc(F)c(F)c1F

Molecular Weight¹

435.27

• 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°	-1410.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-1741.26	kJ/mol	Joback Calculated Property
ΔfusH°	55.35	kJ/mol	Joback Calculated Property
ΔvapH°	90.39	kJ/mol	Joback Calculated Property
log10WS	-5.51		Crippen Calculated Property
logPoct/wat	2.650		Crippen Calculated Property
McVol	254.010	ml/mol	McGowan Calculated Property
Pc	1641.76	kPa	Joback Calculated Property
Inp	[2333.00; 2333.00]
Inp	2333.00		NIST
Inp	2333.00		NIST
Tboil	946.28	K	Joback Calculated Property
Tc	1161.04	K	Joback Calculated Property
Tfus	656.03	K	Joback Calculated Property
Vc	1.018	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[764.49; 797.19]	J/mol×K	[946.28; 1161.04]
Cp,gas	764.49	J/mol×K	946.28	Joback Calculated Property
Cp,gas	772.84	J/mol×K	982.07	Joback Calculated Property
Cp,gas	780.02	J/mol×K	1017.87	Joback Calculated Property
Cp,gas	786.04	J/mol×K	1053.66	Joback Calculated Property
Cp,gas	790.91	J/mol×K	1089.46	Joback Calculated Property
Cp,gas	794.62	J/mol×K	1125.25	Joback Calculated Property
Cp,gas	797.19	J/mol×K	1161.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Serine, N,O-bis(2,3,4-trifluorobenzoyl)-, methyl ester.

Sources

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

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