Chemical Properties of Tricyclo[4.2.0.02,5]octa-3,7-diene, (1«alpha»,2«beta»,5«beta»,6«alpha»)- (CAS 20380-31-8)

InChI

InChI=1S/C8H8/c1-2-6-5(1)7-3-4-8(6)7/h1-8H/t5-,6+,7+,8-

InChI Key

DUZZYQHCABHRAJ-SOSBWXJGSA-N

Formula

C8H8

SMILES

C1=CC2C1C1C=CC21

Molecular Weight¹

104.15

CAS

20380-31-8

• 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).
• 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°	263.04	kJ/mol	Joback Calculated Property
ΔfH°gas	111.33	kJ/mol	Joback Calculated Property
ΔfusH°	16.50	kJ/mol	Joback Calculated Property
ΔvapH°	33.24	kJ/mol	Joback Calculated Property
IE	[8.27; 8.96]	eV
IE	8.27 ± 0.10	eV	NIST
IE	8.90	eV	NIST
IE	8.96	eV	NIST
log10WS	-1.60		Crippen Calculated Property
logPoct/wat	1.604		Crippen Calculated Property
McVol	82.400	ml/mol	McGowan Calculated Property
Pc	3995.65	kPa	Joback Calculated Property
Tboil	392.04	K	Joback Calculated Property
Tc	597.54	K	Joback Calculated Property
Tfus	234.54	K	Joback Calculated Property
Vc	0.334	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[162.04; 234.57]	J/mol×K	[392.04; 597.54]
Cp,gas	162.04	J/mol×K	392.04	Joback Calculated Property
Cp,gas	176.96	J/mol×K	426.29	Joback Calculated Property
Cp,gas	190.62	J/mol×K	460.54	Joback Calculated Property
Cp,gas	203.12	J/mol×K	494.79	Joback Calculated Property
Cp,gas	214.54	J/mol×K	529.04	Joback Calculated Property
Cp,gas	224.99	J/mol×K	563.29	Joback Calculated Property
Cp,gas	234.57	J/mol×K	597.54	Joback Calculated Property
η	[0.0001005; 0.0007040]	Pa×s	[234.54; 392.04]
η	0.0001005	Pa×s	234.54	Joback Calculated Property
η	0.0001637	Pa×s	260.79	Joback Calculated Property
η	0.0002438	Pa×s	287.04	Joback Calculated Property
η	0.0003397	Pa×s	313.29	Joback Calculated Property
η	0.0004497	Pa×s	339.54	Joback Calculated Property
η	0.0005718	Pa×s	365.79	Joback Calculated Property
η	0.0007040	Pa×s	392.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[4.2.0.02,5]octa-3,7-diene, (1«alpha»,2«beta»,5«beta»,6«alpha»)-.

Sources

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

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