Chemical Properties of 3-Aminobenzoic acid, N-pentafluoropropionyl-, tert.-butyldimethylsilyl ester

InChI

InChI=1S/C16H20F5NO3Si/c1-14(2,3)26(4,5)25-12(23)10-7-6-8-11(9-10)22-13(24)15(17,18)16(19,20)21/h6-9H,1-5H3,(H,22,24)

InChI Key

SFCJKHGDMCHBKS-UHFFFAOYSA-N

Formula

C16H20F5NO3Si

SMILES

CC(C)(C)[Si](C)(C)OC(=O)c1cccc(NC(=O)C(F)(F)C(F)(F)F)c1

Molecular Weight¹

397.41

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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.
• 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	0.7242		Relay (1.0) Calculated Property
ΔfG°	-1148.21	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1742.71	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	79.64	kJ/mol	Relay (1.0) Calculated Property
IE	8.94	eV	Relay (1.0) Calculated Property
log10WS	-5.09		Relay (1.0) Calculated Property
logPoct/wat	4.985		Crippen Calculated Property
Pc	1556.40	kPa	Relay (1.0-beta) Calculated Property
Inp	[1821.00; 1821.00]
Inp	1821.00		NIST
Inp	1821.00		NIST
Tboil	573.96	K	Relay (1.0) Calculated Property
Tc	786.74	K	Relay (1.0) Calculated Property
Tfus	367.89	K	Relay (1.0) Calculated Property
Vc	0.950	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 3-Aminobenzoic acid, N-pentafluoropropionyl-, tert.-butyldimethylsilyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• NIST Webbook

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