Chemical Properties of 2H-Inden-2-one, octahydro-3a-methyl-, trans- (CAS 20379-99-1)

InChI

InChI=1S/C10H16O/c1-10-5-3-2-4-8(10)6-9(11)7-10/h8H,2-7H2,1H3/t8-,10-/m0/s1

InChI Key

AMBOSHXMUMOHBF-WPRPVWTQSA-N

Formula

C10H16O

SMILES

CC12CCCCC1CC(=O)C2

Molecular Weight¹

152.23

CAS

20379-99-1

Other Names

• 2-Indanone, hexahydro-3a-methyl-, trans-
• 3a-Methyloctahydro-2H-inden-2-one, (E)-

• ω : Acentric Factor.
• 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).
• 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).
• 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	0.3526		Relay (1.0) Calculated Property
ΔcH°liquid	-5888.20 ± 2.20	kJ/mol	NIST
ΔfG°	-9.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-275.20 ± 2.30	kJ/mol	NIST
ΔfH°liquid	-333.50 ± 2.20	kJ/mol	NIST
ΔfusH°	4.84	kJ/mol	Joback Calculated Property
ΔvapH°	[58.30; 58.32]	kJ/mol
ΔvapH°	58.30 ± 0.20	kJ/mol	NIST
ΔvapH°	58.32 ± 0.17	kJ/mol	NIST
IE	9.31	eV	Relay (1.0) Calculated Property
log10WS	-2.58		Relay (1.0) Calculated Property
logPoct/wat	2.546		Crippen Calculated Property
McVol	131.610	ml/mol	McGowan Calculated Property
Pc	3217.33	kPa	Joback Calculated Property
Tboil	494.33	K	Relay (1.0) Calculated Property
Tc	736.30	K	Relay (1.0) Calculated Property
Tfus	356.52	K	Relay (1.0) Calculated Property
Vc	0.439	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[324.27; 427.09]	J/mol×K	[522.55; 763.29]
Cp,gas	324.27	J/mol×K	522.55	Joback Calculated Property
Cp,gas	344.37	J/mol×K	562.67	Joback Calculated Property
Cp,gas	363.07	J/mol×K	602.80	Joback Calculated Property
Cp,gas	380.54	J/mol×K	642.92	Joback Calculated Property
Cp,gas	396.93	J/mol×K	683.04	Joback Calculated Property
Cp,gas	412.39	J/mol×K	723.17	Joback Calculated Property
Cp,gas	427.09	J/mol×K	763.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2H-Inden-2-one, octahydro-3a-methyl-, trans-.

Sources

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

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