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

InChI

InChI=1S/C17H22F3NO3/c1-3-4-5-6-7-10-24-14(22)11-21(2)17(23)12-8-9-13(18)16(20)15(12)19/h8-9H,3-7,10-11H2,1-2H3

InChI Key

LWLPJUOBCRLQGF-UHFFFAOYSA-N

Formula

C17H22F3NO3

SMILES

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

Molecular Weight¹

345.36

• 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°	-660.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-1070.27	kJ/mol	Joback Calculated Property
ΔfusH°	49.31	kJ/mol	Joback Calculated Property
ΔvapH°	73.19	kJ/mol	Joback Calculated Property
log10WS	-4.82		Crippen Calculated Property
logPoct/wat	3.690		Crippen Calculated Property
McVol	250.930	ml/mol	McGowan Calculated Property
Pc	1488.44	kPa	Joback Calculated Property
Inp	[2186.00; 2186.00]
Inp	2186.00		NIST
Inp	2186.00		NIST
Tboil	770.39	K	Joback Calculated Property
Tc	956.18	K	Joback Calculated Property
Tfus	501.66	K	Joback Calculated Property
Vc	0.982	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[738.45; 811.41]	J/mol×K	[770.39; 956.18]
Cp,gas	738.45	J/mol×K	770.39	Joback Calculated Property
Cp,gas	752.69	J/mol×K	801.35	Joback Calculated Property
Cp,gas	766.06	J/mol×K	832.32	Joback Calculated Property
Cp,gas	778.60	J/mol×K	863.28	Joback Calculated Property
Cp,gas	790.32	J/mol×K	894.25	Joback Calculated Property
Cp,gas	801.25	J/mol×K	925.21	Joback Calculated Property
Cp,gas	811.41	J/mol×K	956.18	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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