Chemical Properties of Trispiro[2.0.0.2.1.1]nonane (CAS 50874-24-3)

InChI

InChI=1S/C9H12/c1-2-7(1)5-9(7)6-8(9)3-4-8/h1-6H2

InChI Key

JCHCWAJGYWGXMQ-UHFFFAOYSA-N

Formula

C9H12

SMILES

C1CC12CC21CC12CC2

Molecular Weight¹

120.19

CAS

50874-24-3

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-5644.40 ± 6.70	kJ/mol	NIST
ΔfH°gas	429.90	kJ/mol	NIST
ΔfH°liquid	387.80 ± 6.80	kJ/mol	NIST
ΔfusH°	-2.06	kJ/mol	Joback Calculated Property
ΔvapH°	[42.10; 42.10]	kJ/mol
ΔvapH°	42.10	kJ/mol	NIST
ΔvapH°	42.10	kJ/mol	NIST
IE	8.73	eV	Relay (1.0) Calculated Property
logPoct/wat	2.341		Crippen Calculated Property
McVol	94.230	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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[103.26; 412.59]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.46810e+02
Coefficient B			2.39340e+00
Coefficient C			-3.13900e-03
Coefficient D			1.50500e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	103.26	J/mol×K	273.00	Calculated Property
Cp,gas	173.69	J/mol×K	353.78	Calculated Property
Cp,gas	223.99	J/mol×K	434.56	Calculated Property
Cp,gas	258.94	J/mol×K	515.33	Calculated Property
Cp,gas	283.28	J/mol×K	596.11	Calculated Property
Cp,gas	301.79	J/mol×K	676.89	Calculated Property
Cp,gas	319.21	J/mol×K	757.67	Calculated Property
Cp,gas	340.31	J/mol×K	838.44	Calculated Property
Cp,gas	369.85	J/mol×K	919.22	Calculated Property
Cp,gas	412.59	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Trispiro[2.0.0.2.1.1]nonane.

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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