Chemical Properties of 2-(2-adamantyl)propene

InChI

InChI=1S/C13H20/c1-8(2)13-11-4-9-3-10(6-11)7-12(13)5-9/h9-13H,1,3-7H2,2H3

InChI Key

VLJRVQFLGRFPSF-UHFFFAOYSA-N

Formula

C13H20

SMILES

C=C(C)C1C2CC3CC(C2)CC1C3

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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-97.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.28	kJ/mol	Joback Calculated Property
IE	8.70	eV	Relay (1.0) Calculated Property
logPoct/wat	3.635		Crippen Calculated Property
McVol	157.150	ml/mol	McGowan Calculated Property
Inp	[1382.00; 1422.00]
Inp	1382.00		NIST
Inp	1394.00		NIST
Inp	1409.00		NIST
Inp	1422.00		NIST
I	[1643.00; 1691.00]
I	1643.00		NIST
I	1667.00		NIST
I	1691.00		NIST
Tfus	422.68	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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	[398.36; 514.78]	J/mol×K	[508.55; 721.37]
Cp,gas	398.36	J/mol×K	508.55	Joback Calculated Property
Cp,gas	421.21	J/mol×K	544.02	Joback Calculated Property
Cp,gas	442.55	J/mol×K	579.49	Joback Calculated Property
Cp,gas	462.48	J/mol×K	614.96	Joback Calculated Property
Cp,gas	481.09	J/mol×K	650.43	Joback Calculated Property
Cp,gas	498.49	J/mol×K	685.90	Joback Calculated Property
Cp,gas	514.78	J/mol×K	721.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-(2-adamantyl)propene.

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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