Chemical Properties of 5-Aminoindan (CAS 24425-40-9)

InChI

InChI=1S/C9H11N/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3,10H2

InChI Key

LEWZOBYWGWKNCK-UHFFFAOYSA-N

Formula

C9H11N

SMILES

Nc1ccc2c(c1)CCC2

Molecular Weight¹

133.19

CAS

24425-40-9

Other Names

• 5-Aminohydrindene
• 5-Amino indane
• 1H-Inden-5-amine, 2,3-dihydro-
• indan-5-amine

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5117		Relay (1.0) Calculated Property
ΔfH°gas	62.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.59	kJ/mol	Joback Calculated Property
ΔvapH°	66.71	kJ/mol	Relay (1.0) Calculated Property
IE	7.49	eV	Relay (1.0) Calculated Property
log10WS	-2.33		Relay (1.0) Calculated Property
logPoct/wat	1.758		Crippen Calculated Property
McVol	113.030	ml/mol	McGowan Calculated Property
Pc	4103.88	kPa	Joback Calculated Property
Inp	[231.35; 232.12]
Inp	231.35		NIST
Inp	232.12		NIST
Tboil	539.21	K	Relay (1.0) Calculated Property
Tc	806.19	K	Relay (1.0) Calculated Property
Tfus	310.50 ± 0.50	K	NIST

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[255.16; 323.60]	J/mol×K	[526.10; 766.13]
Cp,gas	255.16	J/mol×K	526.10	Joback Calculated Property
Cp,gas	268.90	J/mol×K	566.10	Joback Calculated Property
Cp,gas	281.60	J/mol×K	606.11	Joback Calculated Property
Cp,gas	293.33	J/mol×K	646.11	Joback Calculated Property
Cp,gas	304.20	J/mol×K	686.12	Joback Calculated Property
Cp,gas	314.26	J/mol×K	726.12	Joback Calculated Property
Cp,gas	323.60	J/mol×K	766.13	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[419.50; 521.20]	K	[3.30; 99.30]
Tboilr	419.50 ± 0.50	K	3.30	NIST
Tboilr	521.20	K	99.30	NIST
Tboilr	521.00 ± 1.00	K	99.30	NIST

Similar Compounds

Find more compounds similar to 5-Aminoindan.

Sources

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

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