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

• 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	0.9198		Relay (1.0) Calculated Property
ΔfG°	-652.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-1094.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.90	kJ/mol	Joback Calculated Property
ΔvapH°	95.20	kJ/mol	Relay (1.0) Calculated Property
IE	8.90	eV	Relay (1.0) Calculated Property
log10WS	-5.51		Relay (1.0) 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	617.72	K	Relay (1.0) Calculated Property
Tc	808.50	K	Relay (1.0) Calculated Property
Tfus	308.07	K	Relay (1.0) Calculated Property
Vc	0.990	m3/kmol	Relay (1.0) 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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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