Chemical Properties of 2,4-Methano-2,4-didehydroadamantane (CAS 73586-31-9)

InChI

InChI=1S/C11H14/c1-6-2-8-4-7(1)10-5-11(8,10)9(10)3-6/h6-9H,1-5H2

InChI Key

BYDHYGGDDSJOII-UHFFFAOYSA-N

Formula

C11H14

SMILES

C1C2CC3CC1C14CC31C4C2

Molecular Weight¹

146.23

CAS

73586-31-9

• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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
ΔfG°	375.20	kJ/mol	Joback Calculated Property
ΔfH°gas	128.41	kJ/mol	Joback Calculated Property
ΔfusH°	11.80	kJ/mol	Joback Calculated Property
ΔvapH°	36.35	kJ/mol	Joback Calculated Property
IE	[7.50; 7.90]	eV
IE	7.50	eV	NIST
IE	7.90	eV	NIST
log10WS	-2.45		Crippen Calculated Property
logPoct/wat	2.442		Crippen Calculated Property
McVol	111.550	ml/mol	McGowan Calculated Property
Pc	3598.56	kPa	Joback Calculated Property
Tboil	463.51	K	Joback Calculated Property
Tc	685.71	K	Joback Calculated Property
Tfus	361.07	K	Joback Calculated Property
Vc	0.464	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[293.08; 383.51]	J/mol×K	[463.51; 685.71]
Cp,gas	293.08	J/mol×K	463.51	Joback Calculated Property
Cp,gas	313.09	J/mol×K	500.54	Joback Calculated Property
Cp,gas	330.60	J/mol×K	537.58	Joback Calculated Property
Cp,gas	345.99	J/mol×K	574.61	Joback Calculated Property
Cp,gas	359.68	J/mol×K	611.64	Joback Calculated Property
Cp,gas	372.05	J/mol×K	648.68	Joback Calculated Property
Cp,gas	383.51	J/mol×K	685.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Methano-2,4-didehydroadamantane.

Sources

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

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