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)-

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-5888.20 ± 2.20	kJ/mol	NIST
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
logPoct/wat	2.546		Crippen Calculated Property
McVol	131.610	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[158.50; 506.51]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.35610e+02
Coefficient B			1.35042e+00
Coefficient C			-1.11000e-03
Coefficient D			4.01700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	158.50	J/mol×K	273.00	Calculated Property
Cp,gas	221.00	J/mol×K	353.78	Calculated Property
Cp,gas	274.58	J/mol×K	434.56	Calculated Property
Cp,gas	320.50	J/mol×K	515.33	Calculated Property
Cp,gas	360.04	J/mol×K	596.11	Calculated Property
Cp,gas	394.48	J/mol×K	676.89	Calculated Property
Cp,gas	425.07	J/mol×K	757.67	Calculated Property
Cp,gas	453.09	J/mol×K	838.44	Calculated Property
Cp,gas	479.82	J/mol×K	919.22	Calculated Property
Cp,gas	506.51	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• 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
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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