Chemical Properties of Glycine, N-(2,3,4-trifluorobenzoyl)-, methyl ester

InChI

InChI=1S/C10H8F3NO3/c1-17-7(15)4-14-10(16)5-2-3-6(11)9(13)8(5)12/h2-3H,4H2,1H3,(H,14,16)

InChI Key

KEBJVTNUWUBQGP-UHFFFAOYSA-N

Formula

C10H8F3NO3

SMILES

COC(=O)CNC(=O)c1ccc(F)c(F)c1F

Molecular Weight¹

247.17

• 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°	-741.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-939.85	kJ/mol	Joback Calculated Property
ΔfusH°	33.25	kJ/mol	Joback Calculated Property
ΔvapH°	62.00	kJ/mol	Joback Calculated Property
log10WS	-2.51		Crippen Calculated Property
logPoct/wat	1.007		Crippen Calculated Property
McVol	152.300	ml/mol	McGowan Calculated Property
Pc	2755.56	kPa	Joback Calculated Property
Inp	[1554.00; 1554.00]
Inp	1554.00		NIST
Inp	1554.00		NIST
Tboil	647.96	K	Joback Calculated Property
Tc	843.40	K	Joback Calculated Property
Tfus	442.96	K	Joback Calculated Property
Vc	0.607	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[384.12; 435.66]	J/mol×K	[647.96; 843.40]
Cp,gas	384.12	J/mol×K	647.96	Joback Calculated Property
Cp,gas	394.15	J/mol×K	680.53	Joback Calculated Property
Cp,gas	403.60	J/mol×K	713.11	Joback Calculated Property
Cp,gas	412.47	J/mol×K	745.68	Joback Calculated Property
Cp,gas	420.77	J/mol×K	778.25	Joback Calculated Property
Cp,gas	428.50	J/mol×K	810.82	Joback Calculated Property
Cp,gas	435.66	J/mol×K	843.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glycine, N-(2,3,4-trifluorobenzoyl)-, methyl ester.

Sources

• 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.