Chemical Properties of Bicyclo[2.2.2]octa-2,5-diene (CAS 500-23-2)

InChI

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

InChI Key

PPABCIZFQNHUIH-UHFFFAOYSA-N

Formula

C8H10

SMILES

C1=CC2C=CC1CC2

Molecular Weight¹

106.17

CAS

500-23-2

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	173.70	kJ/mol	Joback Calculated Property
ΔfH°gas	40.39	kJ/mol	Joback Calculated Property
ΔfusH°	10.99	kJ/mol	Joback Calculated Property
ΔvapH°	34.16	kJ/mol	Joback Calculated Property
IE	8.87	eV	NIST
log10WS	-2.18		Crippen Calculated Property
logPoct/wat	2.139		Crippen Calculated Property
McVol	93.260	ml/mol	McGowan Calculated Property
Pc	3886.79	kPa	Joback Calculated Property
Inp	[817.00; 817.00]
Inp	817.00		NIST
Inp	817.00		NIST
Tboil	402.78	K	Joback Calculated Property
Tc	617.25	K	Joback Calculated Property
Tfus	210.28	K	Joback Calculated Property
Vc	0.353	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[172.91; 252.10]	J/mol×K	[402.78; 617.25]
Cp,gas	172.91	J/mol×K	402.78	Joback Calculated Property
Cp,gas	188.64	J/mol×K	438.53	Joback Calculated Property
Cp,gas	203.27	J/mol×K	474.27	Joback Calculated Property
Cp,gas	216.87	J/mol×K	510.02	Joback Calculated Property
Cp,gas	229.50	J/mol×K	545.76	Joback Calculated Property
Cp,gas	241.22	J/mol×K	581.51	Joback Calculated Property
Cp,gas	252.10	J/mol×K	617.25	Joback Calculated Property
η	[0.0004199; 0.0007709]	Pa×s	[210.28; 402.78]
η	0.0007709	Pa×s	210.28	Joback Calculated Property
η	0.0006515	Pa×s	242.36	Joback Calculated Property
η	0.0005727	Pa×s	274.45	Joback Calculated Property
η	0.0005172	Pa×s	306.53	Joback Calculated Property
η	0.0004762	Pa×s	338.61	Joback Calculated Property
η	0.0004447	Pa×s	370.70	Joback Calculated Property
η	0.0004199	Pa×s	402.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.2]octa-2,5-diene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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