Chemical Properties of 2,2-Dinitroadamantane

InChI

InChI=1S/C10H14N2O4/c13-11(14)10(12(15)16)8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2

InChI Key

LLYKIMPMZLMAOC-UHFFFAOYSA-N

Formula

C10H14N2O4

SMILES

O=[N+]([O-])C1([N+](=O)[O-])C2CC3CC(C2)CC1C3

Molecular Weight¹

226.23

• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-5685.20 ± 1.10	kJ/mol	NIST
ΔfH°gas	-154.30 ± 1.80	kJ/mol	NIST
ΔfH°solid	-250.70 ± 1.10	kJ/mol	NIST
ΔfusH°	32.53	kJ/mol	Joback Calculated Property
ΔsubH°	[96.40; 96.40]	kJ/mol
ΔsubH°	96.40 ± 1.40	kJ/mol	NIST
ΔsubH°	96.40 ± 1.40	kJ/mol	NIST
logPoct/wat	1.692		Crippen Calculated Property
McVol	154.020	ml/mol	McGowan Calculated Property

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, 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	[499.37; 597.76]	J/mol×K	[747.47; 1021.85]
Cp,gas	499.37	J/mol×K	747.47	Joback Calculated Property
Cp,gas	516.08	J/mol×K	793.20	Joback Calculated Property
Cp,gas	532.16	J/mol×K	838.93	Joback Calculated Property
Cp,gas	547.99	J/mol×K	884.66	Joback Calculated Property
Cp,gas	563.95	J/mol×K	930.39	Joback Calculated Property
Cp,gas	580.42	J/mol×K	976.12	Joback Calculated Property
Cp,gas	597.76	J/mol×K	1021.85	Joback Calculated Property
ΔfusH	5.06	kJ/mol	491.20	NIST

Similar Compounds

Find more compounds similar to 2,2-Dinitroadamantane.

Sources

• 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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