Chemical Properties of Dispiro[2.0.2.2]octane (CAS 21426-37-9)

InChI

InChI=1S/C8H12/c1-2-7(1)5-6-8(7)3-4-8/h1-6H2

InChI Key

KHCZAHBPHDGNJP-UHFFFAOYSA-N

Formula

C8H12

SMILES

C1CC12CCC21CC1

Molecular Weight¹

108.18

CAS

21426-37-9

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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°	207.56	kJ/mol	Joback Calculated Property
ΔfH°gas	66.93	kJ/mol	Joback Calculated Property
ΔfusH°	-0.69	kJ/mol	Joback Calculated Property
ΔvapH°	30.98	kJ/mol	Joback Calculated Property
IE	[8.40; 9.02]	eV
IE	8.40	eV	NIST
IE	9.02	eV	NIST
log10WS	-2.37		Crippen Calculated Property
logPoct/wat	2.341		Crippen Calculated Property
McVol	91.000	ml/mol	McGowan Calculated Property
Pc	4456.32	kPa	Joback Calculated Property
Tboil	403.54	K	Joback Calculated Property
Tc	625.33	K	Joback Calculated Property
Tfus	289.30	K	Joback Calculated Property
Vc	0.359	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[188.62; 270.24]	J/mol×K	[403.54; 625.33]
Cp,gas	188.62	J/mol×K	403.54	Joback Calculated Property
Cp,gas	207.12	J/mol×K	440.50	Joback Calculated Property
Cp,gas	223.24	J/mol×K	477.47	Joback Calculated Property
Cp,gas	237.30	J/mol×K	514.43	Joback Calculated Property
Cp,gas	249.61	J/mol×K	551.40	Joback Calculated Property
Cp,gas	260.49	J/mol×K	588.36	Joback Calculated Property
Cp,gas	270.24	J/mol×K	625.33	Joback Calculated Property
ΔvapH	38.30	kJ/mol	324.50	NIST

Similar Compounds

Find more compounds similar to Dispiro[2.0.2.2]octane.

Sources

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

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