Chemical Properties of Tricyclo[3.3.1.1(3,7)]decane, 1-nitro- (CAS 7575-82-8)

InChI

InChI=1S/C10H15NO2/c12-11(13)10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2

InChI Key

HONLSNLUVRQMEK-UHFFFAOYSA-N

Formula

C10H15NO2

SMILES

O=[N+]([O-])C12CC3CC(CC(C3)C1)C2

Molecular Weight¹

181.23

CAS

7575-82-8

Other Names

• 1-Nitroadamantane
• Adamantane, 1-nitro-
• Tricyclo[3.3.1.13,7]decane, 1-nitro-

• 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).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-5819.90 ± 2.20	kJ/mol	NIST
ΔfH°gas	-191.10 ± 2.40	kJ/mol	NIST
ΔfH°solid	-254.70 ± 2.20	kJ/mol	NIST
ΔfusH°	20.10	kJ/mol	Joback Calculated Property
ΔsubH°	63.60 ± 1.00	kJ/mol	NIST
logPoct/wat	2.232		Crippen Calculated Property
McVol	136.600	ml/mol	McGowan Calculated Property
Inp	[1500.00; 1500.00]
Inp	1500.00		NIST
Inp	1500.00		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, 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[167.91; 536.45]	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			-2.00610e+02
Coefficient B			1.76166e+00
Coefficient C			-1.69000e-03
Coefficient D			6.65400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	167.91	J/mol×K	273.00	Calculated Property
Cp,gas	240.57	J/mol×K	353.78	Calculated Property
Cp,gas	300.40	J/mol×K	434.56	Calculated Property
Cp,gas	349.49	J/mol×K	515.33	Calculated Property
Cp,gas	389.95	J/mol×K	596.11	Calculated Property
Cp,gas	423.88	J/mol×K	676.89	Calculated Property
Cp,gas	453.39	J/mol×K	757.67	Calculated Property
Cp,gas	480.59	J/mol×K	838.44	Calculated Property
Cp,gas	507.57	J/mol×K	919.22	Calculated Property
Cp,gas	536.45	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[3.3.1.1(3,7)]decane, 1-nitro-.

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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