Chemical Properties of 6-Hydroxytropinone (CAS 5932-53-6)

InChI

InChI=1S/C8H13NO2/c1-9-5-2-6(10)4-7(9)8(11)3-5/h5,7-8,11H,2-4H2,1H3

InChI Key

UOHSTKWPZWFYTF-UHFFFAOYSA-N

Formula

C8H13NO2

SMILES

CN1C2CC(=O)CC1C(O)C2

Molecular Weight¹

155.19

CAS

5932-53-6

Other Names

• 8-Azabicyclo[3.2.1]octan-3-one, 6-hydroxy-8-methyl-, exo-
• 7-hydroxy-8-methylazabicyclo[3.2.1]octan-3-one
• 6«beta»-Hydroxytropan-3-one

• 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	0.5315		Relay (1.0) Calculated Property
ΔfG°	-91.39	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-326.06	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	82.83	kJ/mol	Relay (1.0) Calculated Property
IE	8.88	eV	Relay (1.0) Calculated Property
log10WS	0.23		Relay (1.0) Calculated Property
logPoct/wat	-0.217		Crippen Calculated Property
McVol	119.280	ml/mol	McGowan Calculated Property
Pc	3592.67	kPa	Relay (1.0-beta) Calculated Property
Inp	[1325.00; 1325.00]
Inp	1325.00		NIST
Inp	1325.00		NIST
Tboil	533.61	K	Relay (1.0) Calculated Property
Tc	785.64	K	Relay (1.0) Calculated Property
Tfus	476.79	K	Relay (1.0) Calculated Property
Vc	0.424	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 6-Hydroxytropinone.

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
• McGowan Method
• NIST Webbook

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