Chemical Properties of 2-Adamantylamine, N-heptafluorobutyryl-

InChI

InChI=1S/C14H16F7NO/c15-12(16,13(17,18)14(19,20)21)11(23)22-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2,(H,22,23)

InChI Key

SMVNJSTXQNLGSD-UHFFFAOYSA-N

Formula

C14H16F7NO

SMILES

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

Molecular Weight¹

347.27

• 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	0.5264		Relay (... Calculated Property
ΔfG°	-1172.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-1810.78	kJ/mol	Relay (... Calculated Property
ΔfusH°	32.48	kJ/mol	Joback Calculated Property
ΔvapH°	81.14	kJ/mol	Relay (... Calculated Property
IE	9.32	eV	Relay (... Calculated Property
log10WS	-5.70		Relay (... Calculated Property
logPoct/wat	3.760		Crippen Calculated Property
McVol	199.480	ml/mol	McGowan Calculated Property
Pc	1743.37	kPa	Joback Calculated Property
Inp	[1525.00; 1525.00]
Inp	1525.00		NIST
Inp	1525.00		NIST
Tboil	545.47	K	Relay (... Calculated Property
Tc	747.34	K	Relay (... Calculated Property
Tfus	453.71	K	Relay (... Calculated Property
Vc	0.770	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[625.59; 711.89]	J/mol×K	[624.11; 806.04]
Cp,gas	625.59	J/mol×K	624.11	Joback Calculated Property
Cp,gas	642.74	J/mol×K	654.43	Joback Calculated Property
Cp,gas	658.65	J/mol×K	684.75	Joback Calculated Property
Cp,gas	673.41	J/mol×K	715.08	Joback Calculated Property
Cp,gas	687.14	J/mol×K	745.40	Joback Calculated Property
Cp,gas	699.93	J/mol×K	775.72	Joback Calculated Property
Cp,gas	711.89	J/mol×K	806.04	Joback Calculated Property

Similar Compounds

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

Sources

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

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