Chemical Properties of 1-Adamantyl isocyanide (CAS 22110-53-8)

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

161.24

CAS

22110-53-8

• 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_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_subH° : Enthalpy of sublimation at standard conditions (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).
• 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	-6464.10 ± 1.90	kJ/mol	NIST
ΔfG°	331.87	kJ/mol	Joback Calculated Property
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
ΔvapH°	49.01	kJ/mol	Joback Calculated Property
log10WS	-5.26		Crippen Calculated Property
logPoct/wat	2.874		Crippen Calculated Property
McVol	134.650	ml/mol	McGowan Calculated Property
Pc	2853.57	kPa	Joback Calculated Property
Tboil	573.22	K	Joback Calculated Property
Tc	811.33	K	Joback Calculated Property
Tfus	348.68	K	Joback Calculated Property
Vc	0.537	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[365.36; 454.38]	J/mol×K	[573.22; 811.33]
Cp,gas	365.36	J/mol×K	573.22	Joback Calculated Property
Cp,gas	382.83	J/mol×K	612.91	Joback Calculated Property
Cp,gas	398.92	J/mol×K	652.59	Joback Calculated Property
Cp,gas	413.87	J/mol×K	692.28	Joback Calculated Property
Cp,gas	427.94	J/mol×K	731.96	Joback Calculated Property
Cp,gas	441.36	J/mol×K	771.65	Joback Calculated Property
Cp,gas	454.38	J/mol×K	811.33	Joback Calculated Property
Cp,solid	215.20	J/mol×K	298.15	NIST

Similar Compounds

Find more compounds similar to 1-Adamantyl isocyanide.

Sources

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

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