Chemical Properties of Tricyclo[3.3.1.13,7]decane-2,4-dione (CAS 19214-00-7)

InChI

InChI=1S/C10H12O2/c11-9-6-1-5-2-7(4-6)10(12)8(9)3-5/h5-8H,1-4H2

InChI Key

FSLRANFXEMHCCW-UHFFFAOYSA-N

Formula

C10H12O2

SMILES

O=C1C2CC3CC(C2)C(=O)C1C3

Molecular Weight¹

164.20

CAS

19214-00-7

Other Names

• 2,4-Adamantanedione
• Tricyclo[3.3.1.1(3,7)]decane-2,4-dione
• Adamantan-2,4-dione

• 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).
• 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
ΔfG°	-49.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-333.23	kJ/mol	Joback Calculated Property
ΔfusH°	14.05	kJ/mol	Joback Calculated Property
ΔvapH°	45.95	kJ/mol	Joback Calculated Property
log10WS	-1.29		Crippen Calculated Property
logPoct/wat	1.191		Crippen Calculated Property
McVol	122.320	ml/mol	McGowan Calculated Property
Pc	3356.75	kPa	Joback Calculated Property
Inp	[1539.00; 1558.00]
Inp	1539.00		NIST
Inp	1551.00		NIST
Inp	1558.00		NIST
Inp	1539.00		NIST
Inp	1551.00		NIST
Tboil	583.66	K	Joback Calculated Property
Tc	829.88	K	Joback Calculated Property
Tfus	384.96	K	Joback Calculated Property
Vc	0.471	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[342.99; 437.16]	J/mol×K	[583.66; 829.88]
Cp,gas	342.99	J/mol×K	583.66	Joback Calculated Property
Cp,gas	361.57	J/mol×K	624.70	Joback Calculated Property
Cp,gas	378.93	J/mol×K	665.73	Joback Calculated Property
Cp,gas	395.12	J/mol×K	706.77	Joback Calculated Property
Cp,gas	410.19	J/mol×K	747.81	Joback Calculated Property
Cp,gas	424.18	J/mol×K	788.85	Joback Calculated Property
Cp,gas	437.16	J/mol×K	829.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[3.3.1.13,7]decane-2,4-dione.

Sources

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

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