Chemical Properties of Sarcosine, N-(2,3,4-trifluorobenzoyl)-, pentyl ester

InChI

InChI=1S/C15H18F3NO3/c1-3-4-5-8-22-12(20)9-19(2)15(21)10-6-7-11(16)14(18)13(10)17/h6-7H,3-5,8-9H2,1-2H3

InChI Key

FLDLLMWWRFPUAD-UHFFFAOYSA-N

Formula

C15H18F3NO3

SMILES

CCCCCOC(=O)CN(C)C(=O)c1ccc(F)c(F)c1F

Molecular Weight¹

317.30

• 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	0.8007		Relay (... Calculated Property
ΔfG°	-677.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-1034.84	kJ/mol	Relay (... Calculated Property
ΔfusH°	44.13	kJ/mol	Joback Calculated Property
ΔvapH°	84.78	kJ/mol	Relay (... Calculated Property
IE	8.94	eV	Relay (... Calculated Property
log10WS	-4.37		Relay (... Calculated Property
logPoct/wat	2.909		Crippen Calculated Property
McVol	222.750	ml/mol	McGowan Calculated Property
Pc	1736.11	kPa	Joback Calculated Property
Inp	[1996.00; 1996.00]
Inp	1996.00		NIST
Inp	1996.00		NIST
Tboil	589.60	K	Relay (... Calculated Property
Tc	778.42	K	Relay (... Calculated Property
Tfus	299.10	K	Relay (... Calculated Property
Vc	0.827	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[628.00; 697.06]	J/mol×K	[724.63; 910.00]
Cp,gas	628.00	J/mol×K	724.63	Joback Calculated Property
Cp,gas	641.41	J/mol×K	755.52	Joback Calculated Property
Cp,gas	654.04	J/mol×K	786.42	Joback Calculated Property
Cp,gas	665.90	J/mol×K	817.31	Joback Calculated Property
Cp,gas	677.01	J/mol×K	848.21	Joback Calculated Property
Cp,gas	687.39	J/mol×K	879.10	Joback Calculated Property
Cp,gas	697.06	J/mol×K	910.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(2,3,4-trifluorobenzoyl)-, pentyl 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.