Chemical Properties of Sarcosine, N-(2,6-difluorobenzoyl)-, ethyl ester

InChI

InChI=1S/C12H13F2NO3/c1-3-18-10(16)7-15(2)12(17)11-8(13)5-4-6-9(11)14/h4-6H,3,7H2,1-2H3

InChI Key

ZDPVKSYNOMDJIL-UHFFFAOYSA-N

Formula

C12H13F2NO3

SMILES

CCOC(=O)CN(C)C(=O)c1c(F)cccc1F

Molecular Weight¹

257.23

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point 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	-813.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.25	kJ/mol	Joback Calculated Property
ΔvapH°	80.52	kJ/mol	Relay (1.0) Calculated Property
log10WS	-2.82		Relay (1.0) Calculated Property
logPoct/wat	1.600		Crippen Calculated Property
McVol	178.710	ml/mol	McGowan Calculated Property
Inp	[1796.00; 1796.00]
Inp	1796.00		NIST
Inp	1796.00		NIST
Tboil	562.26	K	Relay (1.0) Calculated Property
Tfus	318.95	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[460.12; 525.64]	J/mol×K	[633.87; 826.73]
Cp,gas	460.12	J/mol×K	633.87	Joback Calculated Property
Cp,gas	472.94	J/mol×K	666.01	Joback Calculated Property
Cp,gas	484.97	J/mol×K	698.16	Joback Calculated Property
Cp,gas	496.24	J/mol×K	730.30	Joback Calculated Property
Cp,gas	506.77	J/mol×K	762.44	Joback Calculated Property
Cp,gas	516.56	J/mol×K	794.59	Joback Calculated Property
Cp,gas	525.64	J/mol×K	826.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(2,6-difluorobenzoyl)-, ethyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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