Chemical Properties of 5-Aminoindan, TFA

InChI

InChI=1S/C11H10F3NO/c12-11(13,14)10(16)15-9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H,15,16)

InChI Key

AWCMVCZKRRLBFY-UHFFFAOYSA-N

Formula

C11H10F3NO

SMILES

O=C(Nc1ccc2c(c1)CCC2)C(F)(F)F

Molecular Weight¹

229.20

Other Names

• 5-Aminoindane, TFA

• 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°	-417.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-619.83	kJ/mol	Joback Calculated Property
ΔfusH°	23.10	kJ/mol	Joback Calculated Property
ΔvapH°	53.34	kJ/mol	Joback Calculated Property
log10WS	-3.42		Crippen Calculated Property
logPoct/wat	2.676		Crippen Calculated Property
McVol	148.090	ml/mol	McGowan Calculated Property
Pc	2921.84	kPa	Joback Calculated Property
Inp	[262.67; 262.67]
Inp	262.67		NIST
Inp	262.67		NIST
Tboil	597.75	K	Joback Calculated Property
Tc	807.99	K	Joback Calculated Property
Tfus	394.15	K	Joback Calculated Property
Vc	0.586	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[381.38; 444.85]	J/mol×K	[597.75; 807.99]
Cp,gas	381.38	J/mol×K	597.75	Joback Calculated Property
Cp,gas	394.17	J/mol×K	632.79	Joback Calculated Property
Cp,gas	405.96	J/mol×K	667.83	Joback Calculated Property
Cp,gas	416.85	J/mol×K	702.87	Joback Calculated Property
Cp,gas	426.91	J/mol×K	737.91	Joback Calculated Property
Cp,gas	436.21	J/mol×K	772.95	Joback Calculated Property
Cp,gas	444.85	J/mol×K	807.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Aminoindan, TFA.

Sources

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

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