Chemical Properties of 1-Adamantyl isocyanide

InChI

InChI=1S/C11H15N/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10H,2-7H2

InChI Key

RPRJRJNIFAYHRF-UHFFFAOYSA-N

Formula

C11H15N

SMILES

[C-]#[N+]C12CC3CC(CC(C3)C1)C2

Molecular Weight¹

161.25

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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).
• 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	-6464.10 ± 1.90	kJ/mol	NIST
ΔfH°gas	73.10 ± 2.00	kJ/mol	NIST
ΔfH°solid	-8.30 ± 1.90	kJ/mol	NIST
ΔfusH°	12.83	kJ/mol	Joback Calculated Property
ΔsubH°	[81.40; 81.42]	kJ/mol
ΔsubH°	81.42 ± 0.46	kJ/mol	NIST
ΔsubH°	81.40	kJ/mol	NIST
logPoct/wat	2.874		Crippen Calculated Property
McVol	134.650	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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[163.33; 518.29]	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			-1.90010e+02
Coefficient B			1.69210e+00
Coefficient C			-1.63500e-03
Coefficient D			6.51200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	163.33	J/mol×K	273.00	Calculated Property
Cp,gas	232.82	J/mol×K	353.78	Calculated Property
Cp,gas	289.99	J/mol×K	434.56	Calculated Property
Cp,gas	336.90	J/mol×K	515.33	Calculated Property
Cp,gas	375.62	J/mol×K	596.11	Calculated Property
Cp,gas	408.19	J/mol×K	676.89	Calculated Property
Cp,gas	436.69	J/mol×K	757.67	Calculated Property
Cp,gas	463.16	J/mol×K	838.44	Calculated Property
Cp,gas	489.68	J/mol×K	919.22	Calculated Property
Cp,gas	518.29	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Adamantyl isocyanide.

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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