Chemical Properties of 2,2-dimethyladamantane

InChI

InChI=1S/C12H20/c1-12(2)10-4-8-3-9(6-10)7-11(12)5-8/h8-11H,3-7H2,1-2H3

InChI Key

KOLCSQBNCFAWAM-UHFFFAOYSA-N

Formula

C12H20

SMILES

CC1(C)C2CC3CC(C2)CC1C3

Molecular Weight¹

164.29

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-7324.00 ± 3.00	kJ/mol	NIST
ΔfH°gas	-183.00 ± 3.00	kJ/mol	NIST
ΔfH°solid	-256.00 ± 3.00	kJ/mol	NIST
ΔfusH°	14.98	kJ/mol	Joback Calculated Property
ΔsubH°	[73.00; 74.00]	kJ/mol
ΔsubH°	74.00 ± 1.00	kJ/mol	NIST
ΔsubH°	73.00	kJ/mol	NIST
ΔsubH°	73.60 ± 1.30	kJ/mol	NIST
ΔvapH°	54.88	kJ/mol	Relay (1.0) Calculated Property
IE	8.88	eV	Relay (1.0) Calculated Property
logPoct/wat	3.469		Crippen Calculated Property
McVol	147.360	ml/mol	McGowan Calculated Property
Inp	[1269.00; 1309.00]
Inp	1269.00		NIST
Inp	1269.00		NIST
Inp	1281.00		NIST
Inp	1296.00		NIST
Inp	Outlier 1309.00		NIST
Inp	1269.00		NIST
Inp	1269.00		NIST
Inp	1269.00		NIST
Ip	[1479.00; 1523.00]
Ip	1479.00		NIST
Ip	1479.00		NIST
Ip	1500.00		NIST
Ip	1523.00		NIST
Tfus	448.51	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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	[185.43; 600.06]	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			-2.01980e+02
Coefficient B			1.82584e+00
Coefficient C			-1.66500e-03
Coefficient D			6.41200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	185.43	J/mol×K	273.00	Calculated Property
Cp,gas	263.96	J/mol×K	353.78	Calculated Property
Cp,gas	329.65	J/mol×K	434.56	Calculated Property
Cp,gas	384.52	J/mol×K	515.33	Calculated Property
Cp,gas	430.59	J/mol×K	596.11	Calculated Property
Cp,gas	469.90	J/mol×K	676.89	Calculated Property
Cp,gas	504.48	J/mol×K	757.67	Calculated Property
Cp,gas	536.34	J/mol×K	838.44	Calculated Property
Cp,gas	567.53	J/mol×K	919.22	Calculated Property
Cp,gas	600.06	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,2-dimethyladamantane.

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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