Chemical Properties of Dispiro[2.0.2.1]heptane

InChI

InChI=1S/C7H10/c1-2-6(1)5-7(6)3-4-7/h1-5H2

InChI Key

KGSOURBADOHWIS-UHFFFAOYSA-N

Formula

C7H10

SMILES

C1CC12CC21CC1

Molecular Weight¹

94.16

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-4451.50 ± 3.50	kJ/mol	NIST
ΔfH°gas	302.80 ± 3.50	kJ/mol	NIST
ΔfH°liquid	267.80 ± 3.50	kJ/mol	NIST
ΔfusH°	-1.18	kJ/mol	Joback Calculated Property
ΔvapH°	[35.00; 35.10]	kJ/mol
ΔvapH°	35.10 ± 0.50	kJ/mol	NIST
ΔvapH°	35.00 ± 0.50	kJ/mol	NIST
ΔvapH°	35.00	kJ/mol	NIST
IE	8.97	eV	Relay (1.0) Calculated Property
logPoct/wat	1.950		Crippen Calculated Property
McVol	76.910	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, 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	[149.32; 223.27]	J/mol×K	[376.39; 590.93]
Cp,gas	149.32	J/mol×K	376.39	Joback Calculated Property
Cp,gas	166.61	J/mol×K	412.15	Joback Calculated Property
Cp,gas	181.53	J/mol×K	447.90	Joback Calculated Property
Cp,gas	194.37	J/mol×K	483.66	Joback Calculated Property
Cp,gas	205.41	J/mol×K	519.42	Joback Calculated Property
Cp,gas	214.95	J/mol×K	555.17	Joback Calculated Property
Cp,gas	223.27	J/mol×K	590.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dispiro[2.0.2.1]heptane.

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.
These property values are available through the Cheméo API. A free account gives you an access key.