Chemical Properties of Bicyclo[3.2.1]octa-2,6-diene (CAS 4096-95-1)

InChI

InChI=1S/C8H10/c1-2-7-4-5-8(3-1)6-7/h1-2,4-5,7-8H,3,6H2

InChI Key

VTYQQMGYHHVPMX-UHFFFAOYSA-N

Formula

C8H10

SMILES

C1=CC2C=CC(C1)C2

Molecular Weight¹

106.17

CAS

4096-95-1

• 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_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).
• T_boil : Normal Boiling Point 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	[158.00; 159.00]	kJ/mol
ΔfH°gas	158.00 ± 0.80	kJ/mol	NIST
ΔfH°gas	159.00 ± 6.30	kJ/mol	NIST
ΔfH°liquid	120.00 ± 3.00	kJ/mol	NIST
ΔfusH°	10.99	kJ/mol	Joback Calculated Property
ΔvapH°	39.00	kJ/mol	NIST
IE	8.44 ± 0.01	eV	NIST
logPoct/wat	2.139		Crippen Calculated Property
McVol	93.260	ml/mol	McGowan Calculated Property
Tboil	387.96	K	Relay (1.0) Calculated Property
Tfus	246.09	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[173.00; 252.19]	J/mol×K	[402.98; 617.56]
Cp,gas	173.00	J/mol×K	402.98	Joback Calculated Property
Cp,gas	188.73	J/mol×K	438.74	Joback Calculated Property
Cp,gas	203.36	J/mol×K	474.51	Joback Calculated Property
Cp,gas	216.96	J/mol×K	510.27	Joback Calculated Property
Cp,gas	229.59	J/mol×K	546.03	Joback Calculated Property
Cp,gas	241.31	J/mol×K	581.79	Joback Calculated Property
Cp,gas	252.19	J/mol×K	617.56	Joback Calculated Property
η	[0.0004198; 0.0007709]	Pa×s	[210.28; 402.98]
η	0.0007709	Pa×s	210.28	Joback Calculated Property
η	0.0006514	Pa×s	242.40	Joback Calculated Property
η	0.0005726	Pa×s	274.51	Joback Calculated Property
η	0.0005170	Pa×s	306.63	Joback Calculated Property
η	0.0004760	Pa×s	338.75	Joback Calculated Property
η	0.0004446	Pa×s	370.86	Joback Calculated Property
η	0.0004198	Pa×s	402.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[3.2.1]octa-2,6-diene.

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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