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

InChI

InChI=1S/C20H28F3NO3/c1-3-4-5-6-7-8-9-10-13-27-17(25)14-24(2)20(26)15-11-12-16(21)19(23)18(15)22/h11-12H,3-10,13-14H2,1-2H3

InChI Key

IBEYTGIWRQBLOR-UHFFFAOYSA-N

Formula

C20H28F3NO3

SMILES

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

Molecular Weight¹

387.44

• 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	0.9956		Relay (1.0) Calculated Property
ΔfG°	-635.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-1132.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.08	kJ/mol	Joback Calculated Property
ΔvapH°	103.44	kJ/mol	Relay (1.0) Calculated Property
IE	8.92	eV	Relay (1.0) Calculated Property
log10WS	-6.14		Relay (1.0) Calculated Property
logPoct/wat	4.860		Crippen Calculated Property
McVol	293.200	ml/mol	McGowan Calculated Property
Pc	1205.63	kPa	Joback Calculated Property
Inp	[2497.00; 2497.00]
Inp	2497.00		NIST
Inp	2497.00		NIST
Tboil	633.85	K	Relay (1.0) Calculated Property
Tc	826.28	K	Relay (1.0) Calculated Property
Tfus	314.75	K	Relay (1.0) Calculated Property
Vc	1.099	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[911.44; 989.40]	J/mol×K	[839.03; 1030.20]
Cp,gas	911.44	J/mol×K	839.03	Joback Calculated Property
Cp,gas	926.83	J/mol×K	870.89	Joback Calculated Property
Cp,gas	941.22	J/mol×K	902.75	Joback Calculated Property
Cp,gas	954.64	J/mol×K	934.61	Joback Calculated Property
Cp,gas	967.13	J/mol×K	966.48	Joback Calculated Property
Cp,gas	978.70	J/mol×K	998.34	Joback Calculated Property
Cp,gas	989.40	J/mol×K	1030.20	Joback Calculated Property

Similar Compounds

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

Sources

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

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