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

InChI

InChI=1S/C18H24F3NO3/c1-3-4-5-6-7-8-11-25-15(23)12-22(2)18(24)13-9-10-14(19)17(21)16(13)20/h9-10H,3-8,11-12H2,1-2H3

InChI Key

IMNLZVLCBITGER-UHFFFAOYSA-N

Formula

C18H24F3NO3

SMILES

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

Molecular Weight¹

359.38

• 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°	-652.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-1090.91	kJ/mol	Joback Calculated Property
ΔfusH°	51.90	kJ/mol	Joback Calculated Property
ΔvapH°	75.42	kJ/mol	Joback Calculated Property
log10WS	-5.24		Crippen Calculated Property
logPoct/wat	4.080		Crippen Calculated Property
McVol	265.020	ml/mol	McGowan Calculated Property
Pc	1384.02	kPa	Joback Calculated Property
Inp	[2292.00; 2292.00]
Inp	2292.00		NIST
Inp	2292.00		NIST
Tboil	793.27	K	Joback Calculated Property
Tc	980.16	K	Joback Calculated Property
Tfus	512.93	K	Joback Calculated Property
Vc	1.038	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[795.21; 869.91]	J/mol×K	[793.27; 980.16]
Cp,gas	795.21	J/mol×K	793.27	Joback Calculated Property
Cp,gas	809.83	J/mol×K	824.42	Joback Calculated Property
Cp,gas	823.55	J/mol×K	855.57	Joback Calculated Property
Cp,gas	836.40	J/mol×K	886.72	Joback Calculated Property
Cp,gas	848.39	J/mol×K	917.87	Joback Calculated Property
Cp,gas	859.55	J/mol×K	949.01	Joback Calculated Property
Cp,gas	869.91	J/mol×K	980.16	Joback Calculated Property

Similar Compounds

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