Chemical Properties of Tetracyclo[3.3.1.02,8.04,6]nonane

InChI

InChI=1S/C9H12/c1-4-6-2-7-5(1)9(7)3-8(4)6/h4-9H,1-3H2

InChI Key

YTFCTXSQQPWYFH-UHFFFAOYSA-N

Formula

C9H12

SMILES

C1C2C3CC4C1C4CC23

Molecular Weight¹

120.19

Other Names

• Triasterane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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
ΔfH°gas	191.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.05	kJ/mol	Joback Calculated Property
ΔvapH°	43.86	kJ/mol	Relay (1.0) Calculated Property
IE	[8.20; 8.67]	eV
IE	8.20	eV	NIST
IE	8.67	eV	NIST
logPoct/wat	1.908		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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[121.84; 410.58]	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			-1.79020e+02
Coefficient B			1.43820e+00
Coefficient C			-1.37500e-03
Coefficient D			5.26400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	121.84	J/mol×K	273.00	Calculated Property
Cp,gas	181.00	J/mol×K	353.78	Calculated Property
Cp,gas	229.50	J/mol×K	434.56	Calculated Property
Cp,gas	269.02	J/mol×K	515.33	Calculated Property
Cp,gas	301.21	J/mol×K	596.11	Calculated Property
Cp,gas	327.74	J/mol×K	676.89	Calculated Property
Cp,gas	350.28	J/mol×K	757.67	Calculated Property
Cp,gas	370.49	J/mol×K	838.44	Calculated Property
Cp,gas	390.03	J/mol×K	919.22	Calculated Property
Cp,gas	410.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001232; 0.0022823]	Pa×s	[265.03; 426.83]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.30088e+00
Coefficient B			-2.04097e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			265.03
Temperature range, max.			426.83
η	0.0001232	Pa×s	265.03	Calculated Property
η	0.0002009	Pa×s	283.01	Calculated Property
η	0.0003091	Pa×s	300.99	Calculated Property
η	0.0004530	Pa×s	318.96	Calculated Property
η	0.0006373	Pa×s	336.94	Calculated Property
η	0.0008662	Pa×s	354.92	Calculated Property
η	0.0011429	Pa×s	372.90	Calculated Property
η	0.0014701	Pa×s	390.88	Calculated Property
η	0.0018495	Pa×s	408.85	Calculated Property
η	0.0022823	Pa×s	426.83	Calculated Property

Similar Compounds

Find more compounds similar to Tetracyclo[3.3.1.02,8.04,6]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

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