Chemical Properties of 2H-Inden-2-one, octahydro-3a-methyl-, cis- (CAS 13351-29-6)

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-WCBMZHEXSA-N

Formula

C10H16O

SMILES

CC12CCCCC1CC(=O)C2

Molecular Weight¹

152.23

CAS

13351-29-6

Other Names

• 2-Indanone, hexahydro-3a-methyl-, cis-
• 3a-Methyloctahydro-2H-inden-2-one, (Z)-

• Δ_cH°_solid : Standard solid 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°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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°solid	-5873.80 ± 3.40	kJ/mol	NIST
ΔfG°	-9.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-287.00 ± 3.40	kJ/mol	NIST
ΔfH°solid	-347.90 ± 3.40	kJ/mol	NIST
ΔfusH°	4.84	kJ/mol	Joback Calculated Property
ΔsubH°	[60.90; 60.92]	kJ/mol
ΔsubH°	60.90 ± 0.20	kJ/mol	NIST
ΔsubH°	60.92 ± 0.17	kJ/mol	NIST
ΔvapH°	41.29	kJ/mol	Joback Calculated Property
log10WS	-2.59		Crippen 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	522.55	K	Joback Calculated Property
Tc	763.29	K	Joback Calculated Property
Tfus	319.90	K	Joback Calculated Property
Vc	0.490	m3/kmol	Joback 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-, cis-.

Sources

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

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