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

• Adamantane, 1-nitro-
• 1-Nitroadamantane
• 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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-5819.90 ± 2.20	kJ/mol	NIST
ΔfG°	225.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-191.10 ± 2.40	kJ/mol	NIST
ΔfH°solid	-254.70 ± 2.20	kJ/mol	NIST
ΔfusH°	20.09	kJ/mol	Joback Calculated Property
ΔsubH°	63.60 ± 1.00	kJ/mol	NIST
ΔvapH°	52.90	kJ/mol	Joback Calculated Property
log10WS	-3.16		Crippen Calculated Property
logPoct/wat	2.232		Crippen Calculated Property
McVol	136.600	ml/mol	McGowan Calculated Property
Pc	3306.75	kPa	Joback Calculated Property
Inp	[1500.00; 1500.00]
Inp	1500.00		NIST
Inp	1500.00		NIST
Tboil	600.10	K	Joback Calculated Property
Tc	854.16	K	Joback Calculated Property
Tfus	416.03	K	Joback Calculated Property
Vc	0.537	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[391.76; 485.79]	J/mol×K	[600.10; 854.16]
Cp,gas	391.76	J/mol×K	600.10	Joback Calculated Property
Cp,gas	410.07	J/mol×K	642.44	Joback Calculated Property
Cp,gas	426.93	J/mol×K	684.79	Joback Calculated Property
Cp,gas	442.62	J/mol×K	727.13	Joback Calculated Property
Cp,gas	457.46	J/mol×K	769.47	Joback Calculated Property
Cp,gas	471.75	J/mol×K	811.82	Joback Calculated Property
Cp,gas	485.79	J/mol×K	854.16	Joback Calculated Property
ΔfusH	4.18	kJ/mol	435.20	NIST
ΔsubH	63.60 ± 1.00	kJ/mol	339.00	NIST

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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