Chemical Properties of 2-Adamantylamine, N-pentafluoropropionyl-

InChI

InChI=1S/C13H16F5NO/c14-12(15,13(16,17)18)11(20)19-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2,(H,19,20)

InChI Key

XQQFDPHMUKCPLG-UHFFFAOYSA-N

Formula

C13H16F5NO

SMILES

OC(=NC1C2CC3CC(C2)CC1C3)C(F)(F)C(F)(F)F

Molecular Weight¹

297.26

• 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.
• 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	0.5980		Relay (1.0) Calculated Property
ΔfG°	-912.63	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1411.99	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	91.57	kJ/mol	Relay (1.0) Calculated Property
IE	9.46	eV	Relay (1.0) Calculated Property
log10WS	-5.11		Relay (1.0) Calculated Property
logPoct/wat	3.965		Crippen Calculated Property
McVol	181.850	ml/mol	McGowan Calculated Property
Pc	1870.79	kPa	Joback Calculated Property
Inp	[1492.00; 1492.00]
Inp	1492.00		NIST
Inp	1492.00		NIST
Tboil	566.76	K	Relay (1.0) Calculated Property
Tc	748.64	K	Relay (1.0) Calculated Property
Tfus	499.76	K	Relay (1.0) Calculated Property
Vc	0.681	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Adamantylamine, N-pentafluoropropionyl-.

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
• Joback Method
• McGowan Method
• NIST Webbook

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