Chemical Properties of 2H-Inden-2-one, octahydro-, trans- (CAS 16484-17-6)

InChI

InChI=1S/C9H14O/c10-9-5-7-3-1-2-4-8(7)6-9/h7-8H,1-6H2/t7-,8-/m0/s1

InChI Key

HAMUKWWZXAKCAU-YUMQZZPRSA-N

Formula

C9H14O

SMILES

O=C1CC2CCCCC2C1

Molecular Weight¹

138.21

CAS

16484-17-6

Other Names

• 2-Indanone, hexahydro-, trans-
• trans-«beta»-Hydrindanone
• trans-2-Hydrindanone
• trans-Octahydro-2H-inden-2-one
• trans-Perhydro-2-indanone
• Octahydro-2H-inden-2-one, (E)-

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• 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
ΔcH°liquid	-5237.10 ± 1.50	kJ/mol	NIST
ΔfG°	-12.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-249.20 ± 1.60	kJ/mol	NIST
ΔfH°liquid	-305.30 ± 1.60	kJ/mol	NIST
ΔfusH°	8.55	kJ/mol	Joback Calculated Property
ΔvapH°	[56.10; 56.10]	kJ/mol
ΔvapH°	56.10	kJ/mol	NIST
ΔvapH°	56.10 ± 0.30	kJ/mol	NIST
log10WS	-2.18		Crippen Calculated Property
logPoct/wat	2.156		Crippen Calculated Property
McVol	117.520	ml/mol	McGowan Calculated Property
Pc	3411.87	kPa	Joback Calculated Property
Tboil	499.43	K	Joback Calculated Property
Tc	734.32	K	Joback Calculated Property
Tfus	284.73	K	Joback Calculated Property
Vc	0.436	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[277.47; 377.14]	J/mol×K	[499.43; 734.32]
Cp,gas	277.47	J/mol×K	499.43	Joback Calculated Property
Cp,gas	296.85	J/mol×K	538.58	Joback Calculated Property
Cp,gas	315.07	J/mol×K	577.73	Joback Calculated Property
Cp,gas	332.18	J/mol×K	616.87	Joback Calculated Property
Cp,gas	348.20	J/mol×K	656.02	Joback Calculated Property
Cp,gas	363.18	J/mol×K	695.17	Joback Calculated Property
Cp,gas	377.14	J/mol×K	734.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2H-Inden-2-one, octahydro-, trans-.

Sources

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

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