Chemical Properties of 2'-methylspiro[adamantane-2,1'-cyclopropane]

InChI

InChI=1S/C13H20/c1-8-7-13(8)11-3-9-2-10(5-11)6-12(13)4-9/h8-12H,2-7H2,1H3

InChI Key

SOMKKEUMGXBUBA-UHFFFAOYSA-N

Formula

C13H20

SMILES

CC1CC12C1CC3CC(C1)CC2C3

Molecular Weight¹

176.30

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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
ΔfH°gas	-29.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.81	kJ/mol	Joback Calculated Property
IE	8.42	eV	Relay (1.0) Calculated Property
logPoct/wat	3.469		Crippen Calculated Property
McVol	150.590	ml/mol	McGowan Calculated Property
Inp	[1332.00; 1373.00]
Inp	1332.00		NIST
Inp	1332.00		NIST
Inp	1346.00		NIST
Inp	1358.00		NIST
Inp	1373.00		NIST
I	[1542.00; 1588.00]
I	1542.00		NIST
I	1567.00		NIST
I	1588.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[403.79; 520.06]	J/mol×K	[514.70; 736.32]
Cp,gas	403.79	J/mol×K	514.70	Joback Calculated Property
Cp,gas	427.10	J/mol×K	551.64	Joback Calculated Property
Cp,gas	448.52	J/mol×K	588.57	Joback Calculated Property
Cp,gas	468.29	J/mol×K	625.51	Joback Calculated Property
Cp,gas	486.64	J/mol×K	662.44	Joback Calculated Property
Cp,gas	503.82	J/mol×K	699.38	Joback Calculated Property
Cp,gas	520.06	J/mol×K	736.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2'-methylspiro[adamantane-2,1'-cyclopropane].

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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