Chemical Properties of 2a,4a,6a,6b-Tetrahydrocyclopenta[cd]pentalene (CAS 6053-74-3)

InChI

InChI=1S/C10H10/c1-2-8-5-6-9-4-3-7(1)10(8)9/h1-10H

InChI Key

HKRMLKXSBBQRIM-UHFFFAOYSA-N

Formula

C10H10

SMILES

C1=CC2C=CC3C=CC1C23

Molecular Weight¹

130.19

CAS

6053-74-3

Other Names

• Triquinacene
• Cyclopenta[cd]pentalene, 2a,4a,6a,6b-tetrahydro-

• 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).
• 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	224.00 ± 4.20	kJ/mol	NIST
ΔfusH°	18.70	kJ/mol	Joback Calculated Property
IE	[8.60; 9.00]	eV
IE	8.60	eV	NIST
IE	9.00	eV	NIST
logPoct/wat	2.161		Crippen Calculated Property
McVol	106.280	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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	[125.24; 388.99]	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			-1.32770e+02
Coefficient B			1.20240e+00
Coefficient C			-1.04084e-03
Coefficient D			3.60200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	125.24	J/mol×K	273.00	Calculated Property
Cp,gas	178.29	J/mol×K	353.78	Calculated Property
Cp,gas	222.75	J/mol×K	434.56	Calculated Property
Cp,gas	259.75	J/mol×K	515.33	Calculated Property
Cp,gas	290.43	J/mol×K	596.11	Calculated Property
Cp,gas	315.94	J/mol×K	676.89	Calculated Property
Cp,gas	337.41	J/mol×K	757.67	Calculated Property
Cp,gas	355.98	J/mol×K	838.44	Calculated Property
Cp,gas	372.80	J/mol×K	919.22	Calculated Property
Cp,gas	388.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003350; 0.0010446]	Pa×s	[250.80; 466.38]	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			-5.54101e+00
Coefficient B			-6.17080e+02
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.			250.80
Temperature range, max.			466.38
η	0.0003350	Pa×s	250.80	Calculated Property
η	0.0004151	Pa×s	274.75	Calculated Property
η	0.0004970	Pa×s	298.71	Calculated Property
η	0.0005794	Pa×s	322.66	Calculated Property
η	0.0006613	Pa×s	346.61	Calculated Property
η	0.0007419	Pa×s	370.56	Calculated Property
η	0.0008209	Pa×s	394.52	Calculated Property
η	0.0008978	Pa×s	418.47	Calculated Property
η	0.0009724	Pa×s	442.42	Calculated Property
η	0.0010446	Pa×s	466.38	Calculated Property

Similar Compounds

Find more compounds similar to 2a,4a,6a,6b-Tetrahydrocyclopenta[cd]pentalene.

Sources

• 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.