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

InChI

InChI=1S/C19H26F3NO3/c1-3-4-5-6-7-8-9-12-26-16(24)13-23(2)19(25)14-10-11-15(20)18(22)17(14)21/h10-11H,3-9,12-13H2,1-2H3

InChI Key

SQUCNAVDKXCBDM-UHFFFAOYSA-N

Formula

C19H26F3NO3

SMILES

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

Molecular Weight¹

373.41

• 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	0.9580		Relay (1.0) Calculated Property
ΔfG°	-643.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-1113.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.49	kJ/mol	Joback Calculated Property
ΔvapH°	99.33	kJ/mol	Relay (1.0) Calculated Property
IE	8.90	eV	Relay (1.0) Calculated Property
log10WS	-5.83		Relay (1.0) Calculated Property
logPoct/wat	4.470		Crippen Calculated Property
McVol	279.110	ml/mol	McGowan Calculated Property
Pc	1290.21	kPa	Joback Calculated Property
Inp	[2397.00; 2397.00]
Inp	2397.00		NIST
Inp	2397.00		NIST
Tboil	625.96	K	Relay (1.0) Calculated Property
Tc	817.60	K	Relay (1.0) Calculated Property
Tfus	311.52	K	Relay (1.0) Calculated Property
Vc	1.045	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[852.90; 929.25]	J/mol×K	[816.15; 1004.82]
Cp,gas	852.90	J/mol×K	816.15	Joback Calculated Property
Cp,gas	867.90	J/mol×K	847.59	Joback Calculated Property
Cp,gas	881.96	J/mol×K	879.04	Joback Calculated Property
Cp,gas	895.09	J/mol×K	910.48	Joback Calculated Property
Cp,gas	907.34	J/mol×K	941.93	Joback Calculated Property
Cp,gas	918.71	J/mol×K	973.37	Joback Calculated Property
Cp,gas	929.25	J/mol×K	1004.82	Joback Calculated Property

Similar Compounds

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

Sources

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

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