Chemical Properties of Dispiro[2.1.2.1]octane (CAS 25399-32-0)

InChI

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

InChI Key

CGEYHDBRZXGTLN-UHFFFAOYSA-N

Formula

C8H12

SMILES

C1CC12CC1(CC1)C2

Molecular Weight¹

108.18

CAS

25399-32-0

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	80.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	-0.69	kJ/mol	Joback Calculated Property
ΔvapH°	40.17	kJ/mol	Relay (1.0) Calculated Property
IE	[8.80; 9.21]	eV
IE	8.80	eV	NIST
IE	9.21	eV	NIST
logPoct/wat	2.341		Crippen Calculated Property
McVol	91.000	ml/mol	McGowan Calculated Property
Tboil	400.17	K	Relay (1.0) Calculated Property
Tc	611.53	K	Relay (1.0) Calculated Property
Tfus	217.06	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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

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	32.20	kJ/mol	320.00	NIST

Similar Compounds

Find more compounds similar to Dispiro[2.1.2.1]octane.

Sources

• Cheméo Relay (1.0)
• 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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