Chemical Properties of l-Serine, N,O-bis(3-fluorobenzoyl)-, methyl ester

InChI

InChI=1S/C18H15F2NO5/c1-25-18(24)15(21-16(22)11-4-2-6-13(19)8-11)10-26-17(23)12-5-3-7-14(20)9-12/h2-9,15H,10H2,1H3,(H,21,22)

InChI Key

PTXSJEPNTGOUHE-UHFFFAOYSA-N

Formula

C18H15F2NO5

SMILES

COC(=O)C(COC(=O)c1cccc(F)c1)NC(=O)c1cccc(F)c1

Molecular Weight¹

363.31

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1027.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.59	kJ/mol	Joback Calculated Property
ΔvapH°	120.79	kJ/mol	Relay (1.0) Calculated Property
IE	9.13	eV	Relay (1.0) Calculated Property
logPoct/wat	2.093		Crippen Calculated Property
McVol	246.930	ml/mol	McGowan Calculated Property
Pc	2014.51	kPa	Joback Calculated Property
Inp	[2448.00; 2448.00]
Inp	2448.00		NIST
Inp	2448.00		NIST
Tboil	656.42	K	Relay (1.0) Calculated Property
Tc	934.96	K	Relay (1.0) Calculated Property
Tfus	340.35	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[742.90; 784.39]	J/mol×K	[929.28; 1155.12]
Cp,gas	742.90	J/mol×K	929.28	Joback Calculated Property
Cp,gas	752.78	J/mol×K	966.92	Joback Calculated Property
Cp,gas	761.45	J/mol×K	1004.56	Joback Calculated Property
Cp,gas	768.91	J/mol×K	1042.20	Joback Calculated Property
Cp,gas	775.20	J/mol×K	1079.84	Joback Calculated Property
Cp,gas	780.35	J/mol×K	1117.48	Joback Calculated Property
Cp,gas	784.39	J/mol×K	1155.12	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.