Chemical Properties of 2-isopropylideneadamantane

InChI

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

InChI Key

WMXHJGRQXBTIFH-UHFFFAOYSA-N

Formula

C13H20

SMILES

CC(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).
• Δ_vapH° : Enthalpy of vaporization 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_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-82.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.82	kJ/mol	Joback Calculated Property
ΔvapH°	57.51	kJ/mol	Relay (1.0) Calculated Property
IE	8.00	eV	Relay (1.0) Calculated Property
logPoct/wat	3.779		Crippen Calculated Property
McVol	157.150	ml/mol	McGowan Calculated Property
Inp	[1349.00; 1381.00]
Inp	1349.00		NIST
Inp	1359.00		NIST
Inp	1371.00		NIST
Inp	1381.00		NIST
Ip	[1554.00; 1593.00]
Ip	1554.00		NIST
Ip	1574.00		NIST
Ip	1593.00		NIST
Ip	1554.00		NIST

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, 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	[200.77; 603.41]	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			-1.47430e+02
Coefficient B			1.57784e+00
Coefficient C			-1.21300e-03
Coefficient D			3.86000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	200.77	J/mol×K	273.00	Calculated Property
Cp,gas	276.05	J/mol×K	353.78	Calculated Property
Cp,gas	340.84	J/mol×K	434.56	Calculated Property
Cp,gas	396.38	J/mol×K	515.33	Calculated Property
Cp,gas	443.87	J/mol×K	596.11	Calculated Property
Cp,gas	484.53	J/mol×K	676.89	Calculated Property
Cp,gas	519.60	J/mol×K	757.67	Calculated Property
Cp,gas	550.29	J/mol×K	838.44	Calculated Property
Cp,gas	577.82	J/mol×K	919.22	Calculated Property
Cp,gas	603.41	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-isopropylideneadamantane.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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