Chemical Properties of 1-((1S,3aR,4S,7R,7aR)-3a,7a-Dimethyloctahydro-1H-4,7-methanoinden-1-yl)ethanone (CAS 66748-84-3)

InChI

InChI=1S/C14H22O/c1-9(15)12-6-7-13(2)10-4-5-11(8-10)14(12,13)3/h10-12H,4-8H2,1-3H3

InChI Key

ZVJYJEILWCYOQE-UHFFFAOYSA-N

Formula

C14H22O

SMILES

CC(=O)C1CCC2(C)C3CCC(C3)C12C

Molecular Weight¹

206.32

CAS

66748-84-3

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	15.47	kJ/mol	Joback Calculated Property
logPoct/wat	3.428		Crippen Calculated Property
McVol	177.110	ml/mol	McGowan Calculated Property
Inp	[1589.40; 1589.40]
Inp	1589.40		NIST
Inp	1589.40		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[497.87; 608.84]	J/mol×K	[589.42; 815.88]
Cp,gas	497.87	J/mol×K	589.42	Joback Calculated Property
Cp,gas	518.85	J/mol×K	627.16	Joback Calculated Property
Cp,gas	538.43	J/mol×K	664.91	Joback Calculated Property
Cp,gas	556.91	J/mol×K	702.65	Joback Calculated Property
Cp,gas	574.60	J/mol×K	740.39	Joback Calculated Property
Cp,gas	591.81	J/mol×K	778.14	Joback Calculated Property
Cp,gas	608.84	J/mol×K	815.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-((1S,3aR,4S,7R,7aR)-3a,7a-Dimethyloctahydro-1H-4,7-methanoinden-1-yl)ethanone.

Sources

• Cheméo Relay (1.0)
• 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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