Chemical Properties of Isosativene (CAS 24959-83-9)

InChI

InChI=1S/C15H24/c1-9(2)12-5-6-15(4)10(3)11-7-13(12)14(15)8-11/h9,11-14H,3,5-8H2,1-2,4H3

InChI Key

CGZBLYYTRIVVTD-UHFFFAOYSA-N

Formula

C15H24

SMILES

C=C1C2CC3C(C(C)C)CCC1(C)C3C2

Molecular Weight¹

204.35

CAS

24959-83-9

Other Names

• 2,4-Methano-1H-indene, octahydro-7a-methyl-1-methylene-5-(1-methylethyl)-, (2«alpha»,3a«beta»,4«alpha»,5«alpha»,7a«beta»)-

• 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.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	18.07	kJ/mol	Joback Calculated Property
logPoct/wat	4.271		Crippen Calculated Property
McVol	185.330	ml/mol	McGowan Calculated Property
Inp	[1417.60; 1454.00]
Inp	1417.60		NIST
Inp	1441.00		NIST
Inp	1454.00		NIST
Inp	1452.00		NIST
Inp	1417.60		NIST
Inp	1441.00		NIST
I	[1639.00; 1676.00]
I	1639.00		NIST
I	1676.00		NIST
I	1639.00		NIST
I	1639.00		NIST
I	1676.00		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	[501.63; 619.46]	J/mol×K	[556.71; 769.30]
Cp,gas	501.63	J/mol×K	556.71	Joback Calculated Property
Cp,gas	524.39	J/mol×K	592.14	Joback Calculated Property
Cp,gas	545.67	J/mol×K	627.57	Joback Calculated Property
Cp,gas	565.65	J/mol×K	663.00	Joback Calculated Property
Cp,gas	584.49	J/mol×K	698.44	Joback Calculated Property
Cp,gas	602.37	J/mol×K	733.87	Joback Calculated Property
Cp,gas	619.46	J/mol×K	769.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isosativene.

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.
These property values are available through the Cheméo API. A free account gives you an access key.