Chemical Properties of [4.4.2]Propella-3,8,11-triene (CAS 20295-17-4)

InChI

InChI=1S/C12H14/c1-2-6-12-8-4-3-7-11(12,5-1)9-10-12/h1-4,9-10H,5-8H2

InChI Key

VGWHURSVJWSFCK-UHFFFAOYSA-N

Formula

C12H14

SMILES

C1=CCC23C=CC2(C1)CC=CC3

Molecular Weight¹

158.24

CAS

20295-17-4

Other Names

• 4a,8a-Ethenonaphthalene, 1,4,5,8-tetrahydro-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[317.01; 410.59]	J/mol×K	[509.62; 762.15]
Cp,gas	317.01	J/mol×K	509.62	Joback Calculated Property
Cp,gas	336.61	J/mol×K	551.71	Joback Calculated Property
Cp,gas	354.02	J/mol×K	593.80	Joback Calculated Property
Cp,gas	369.69	J/mol×K	635.89	Joback Calculated Property
Cp,gas	384.05	J/mol×K	677.98	Joback Calculated Property
Cp,gas	397.54	J/mol×K	720.06	Joback Calculated Property
Cp,gas	410.59	J/mol×K	762.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to [4.4.2]Propella-3,8,11-triene.

Sources

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

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