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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.6456		Relay (1.0) Calculated Property
ΔfG°	-498.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-813.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.67	kJ/mol	Joback Calculated Property
ΔvapH°	79.50	kJ/mol	Relay (1.0) Calculated Property
IE	8.91	eV	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
Pc	2374.90	kPa	Joback Calculated Property
Inp	[1796.00; 1796.00]
Inp	1796.00		NIST
Inp	1796.00		NIST
Tboil	562.26	K	Relay (1.0) Calculated Property
Tc	764.94	K	Relay (1.0) Calculated Property
Tfus	324.11	K	Relay (1.0) Calculated Property
Vc	0.663	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[464.11; 528.66]	J/mol×K	[651.74; 846.77]
Cp,gas	464.11	J/mol×K	651.74	Joback Calculated Property
Cp,gas	476.68	J/mol×K	684.25	Joback Calculated Property
Cp,gas	488.50	J/mol×K	716.75	Joback Calculated Property
Cp,gas	499.59	J/mol×K	749.26	Joback Calculated Property
Cp,gas	509.97	J/mol×K	781.76	Joback Calculated Property
Cp,gas	519.65	J/mol×K	814.27	Joback Calculated Property
Cp,gas	528.66	J/mol×K	846.77	Joback Calculated Property

Similar Compounds

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