Chemical Properties of 5-Oxo-«delta»4-decahydrobenzindene

InChI

InChI=1S/C13H18O/c14-12-7-3-5-10-8-9-4-1-2-6-11(9)13(10)12/h3,7,9-11,13H,1-2,4-6,8H2

InChI Key

VGIGCWNCMHCEMC-UHFFFAOYSA-N

Formula

C13H18O

SMILES

O=C1C=CCC2CC3CCCCC3C12

Molecular Weight¹

190.28

• 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	0.3596		Relay (1.0) Calculated Property
ΔfG°	92.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-237.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.23	kJ/mol	Joback Calculated Property
ΔvapH°	78.22	kJ/mol	Relay (1.0) Calculated Property
IE	9.29	eV	Relay (1.0) Calculated Property
log10WS	-4.19		Relay (1.0) Calculated Property
logPoct/wat	2.958		Crippen Calculated Property
McVol	158.720	ml/mol	McGowan Calculated Property
Pc	2662.52	kPa	Joback Calculated Property
Inp	[1762.00; 1762.00]
Inp	1762.00		NIST
Inp	1762.00		NIST
Tboil	554.10	K	Relay (1.0) Calculated Property
Tc	814.98	K	Relay (1.0) Calculated Property
Tfus	396.49	K	Relay (1.0) Calculated Property
Vc	0.547	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[444.56; 560.97]	J/mol×K	[596.45; 841.69]
Cp,gas	444.56	J/mol×K	596.45	Joback Calculated Property
Cp,gas	467.82	J/mol×K	637.32	Joback Calculated Property
Cp,gas	489.44	J/mol×K	678.20	Joback Calculated Property
Cp,gas	509.49	J/mol×K	719.07	Joback Calculated Property
Cp,gas	528.05	J/mol×K	759.95	Joback Calculated Property
Cp,gas	545.18	J/mol×K	800.82	Joback Calculated Property
Cp,gas	560.97	J/mol×K	841.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Oxo-«delta»4-decahydrobenzindene.

Sources

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

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